O WEBSHOP Impurity testing beyond pharmacopeial methods · How to navigate your way through the reference materials maze? Pharmacopoeial/Monograph standards A pharmacopoeial reference

detailed certificates of analysis • acknowledged by regulatory authorities worldw

ide • pharmaceutical im

purities • custom synthesised impurities • pharmaceutical primary standards

Impurity testing beyond pharmacopeial methods

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More than 5,000 impurities from Atorvastatin to Zopiclone

LGC offers over 5,000 reference materials to identify and quantify impurities in APIs, finished dosage forms and excipients.

• Get all your impurities from a single source• Over 5,000 impurities from all relevant

suppliers• Compliant with ICH guidelines Q3A and Q3B • LGC manufactured impurities accompanied

by the most detailed certificate of analysis• Customised impurities available from LGC

@LGCStdsPharma

4573_Impurities_advert_A4_1015-CB.indd 1 10/30/2015 3:55:43 PM

Regulatory backgroundImpurity reference materials are designed to detect, identify, quantify and qualify impurities in a drug substance in accordance with the ICH guidelines Q3A to Q3D and Q7 (International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use).

The ICH does not prioritise at any point any given range of standards over another, whether officially recognised or not, for use within the pharmaceutical industry. Rather, it is central that the chosen reference material is suitable for its intended use.

Always supplied Supplied depending on purpose and/or request Not supplied

Identity confirmation Purity analysis Residuals analysis Assay Intended use3

IR NMR MS HPLC Water Residual solventsSulphated

ashMass

balanceOrthogonal

method

Reference standards by LGC

LGC impurity standard1 Universal

Other materials

Pharmacopoeial standard2 Monograph

1 LGC impurity standards can be identified by the product code part “MM” in catalogues and on the webshop at www.lgcstandards.com.2 Pharmacopoeial standards are normally characterised for their intended purpose. This information is not typically available to users.3 Universal: For in-house quantitative and qualitative QC applications and for method validation. Also for monograph when compared to compendial RS. Monograph: Pharmacopoeial reference standards are designed and to be used strictly for the purpose of the monograph. The risk of incorrect use lies with the

user. Assay is provided if used quantitatively, and may be derived from mass balance and orthogonal method.

How to navigate your way through the reference materials maze?

Pharmacopoeial/Monographstandards

A pharmacopoeial reference standard is a reference standard for active ingredients, excipients and impurity substances established under the aegis of and approved by the relevant Pharmacopoeia, such as USP, EP, BP and JP.

Pharmacopoeial reference standards should only be used for the purposes which are described in the relevant monograph, for which they can be considered a primary reference standard. This is because they have been characterised and tested only for suitability for the official purpose, and they are not supplied with a detailed certificate of analysis thus significantly limiting their usability and value. Other than in those specific situations, the official status of these materials is not valid.

In general text 5.12, the EP states:

‘European Pharmacopoeia Chemical Reference Substance. A substance ... intended for use as stated in a monograph ... of the European Pharmacopoeia.’

and ‘If a European Pharmacopoeia reference

standard is to be used for any purpose other than that for which it has been established, its suitability for the new use has to be fully demonstrated ... Any value

assigned to a reference standard is valid for the intended use and not necessarily for other uses.’

In general chapter , the USP states:

‘When approved as suitable for use … in the USP, USP RS also assume official status and legal recognition in the US. Assessment of the suitability for use in other applications rests with the user.’

Indeed, cases have been reported to LGC where users were challenged by the regulatory authorities to justify the off-compendial use of pharmacopoeial materials or users have contacted LGC seeking advice on how to avoid such regulatory challenges.

LGC impurity reference standards

LGC Standards has a catalogue of over 3,500 impurity reference standards developed over 20 years serving the pharmaceutical industry. These standards are released with a quantitative and qualitative certificate of analysis (CoA) according to ISO 9001:2015. They are valid impurity reference standards for the development and validation of analytical methods, routine quality control and stability testing.

Have a look at the table below which visualises the differences between pharmacopoeial reference materials and LGC impurity standards.

How this listing can help you

In our catalogue ‘Pharmaceutical impurities and primary reference standards’ we have already linked our impurity standards to the listings of EP wherever possible. With this catalogue, we respond to the demand of the pharmaceutical industry to also link our products to the USP descriptions. This listing of almost 500 compounds on the following pages contains the compound description and part number according to USP, suitable chemical name(s) and the corresponding LGC part number of our equivalent impurity reference standard.

Please note that in some cases salt forms or different salt forms of the compounds are provided. It is strongly recommended that prior to ordering the user checks to ensure that the LGC suggested alternative will be suitable for its intended use.

We believe that this listing – together with our catalogue – will be a valuable resource for

all users who want to benefit from the many advantages that LGC’s impurity standards can offer when non-pharmacopoeial methods have to be developed and applied, including:

Detailed CofA with qualitative and quantitative characterisation for method development, validation and ongoing use in stability testing and quality control

Certainty of consistent supply, not dependant on monograph changes

Compared to other suppliers and the documentation of their products, we offer an attractive price on a per-mg basis and in many cases our products are cheaper on a per-mg basis than the pharmacopoeial equivalents.

For further information or to see if we can match other pharmacopoeial standards against our range of products, please contact your local LGC office or send an email to [email protected].

Example certificate of analysis Front cover

MM0095.16 lot number 15573 page 6/6

III. Water Content

Method: Karl Fischer titration

Results: Average 0.20 %

Number of results n=3

Standard deviation 0.01 %

IV. Residual Solvents

Method: 1H-NMR

Result: 0.46 % Chloroform

0.04 % n-Hexane

V. Final Result

Total impurities (HPLC) 0.15 %

Water content 0.20 %

Residual solvents 0.50 %

Assay (100 % method)1 99.15 %

The assay is assessed to be 99.2 % ‘as is’

The assay 'as is' is equivalent to the assay based on the not anhydrous and not dried substance respectively.

Release Date: 2012-05-24 LGC GmbH

Dr. Sabine Schröder

Product Release

1 The calculation of the 100 % method follows the formula:

Assay (%) = (100 % - KF - RES) Purity HPLC (%)100 %*

Water (KF) and Residual solvents (RES) are considered as absolute contributions, HPLC purity is considered as relative

contribution.

Certificate_ref_substance.indd 6 1/14/2014 12:41:42 PM


Minutes0 5 10 15 20 25 30 35

mA

U

0

100

200

300

400

500

600

mA

U

0

100

200

300

400

500

600

3.66

5.95

8.40

12.7

2

15.1

8

23.0

7

Surveyor PDA 4-220nmRetention Time

Area Percent Report - Sorted by Signal

Pk # Retention Time Area Area % 1 3.66 1422 0.02 2 5.95 2481 0.04 3 8.40 6745401 99.85 4 12.72 1480 0.02 5 15.18 3383 0.05 6 23.07 1693 0.03

Totals 6755860 100.00

For the calculation the system peaks were ignored. The content of the analyte was determined as ratio of

the peak area of the analyte and the cumulative areas of the purities, added up to 100 %.






Ic. IR Spectrum

Method: Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) Spectroscopy

The signals of the IR spectrum and their interpretation are consistent with the structural formula.

II. Purity

The purity of the reference substance was analysed by high performance liquid chromatography (HPLC).

HPLC Conditions:

Column: Conditions: Detector: Injector:

Hypersil Gold (C18) 1.0 ml/min, 40 °C DAD Auto

5 µm, 150 x 4.6 mm 0 – 15 min Water/Acetonitrile 80/20 15 – 20 min Water/Acetonitrile to 60/40 20 – 25 min Water/Acetonitrile 60/40 25 – 30 min Water/Acetonitrile to 80/20 30 – 35 min Water/Acetonitrile 80/20 (v/v);

0.1 % H3PO4

220 nm 5 µl; 0.0654 mg/ml in

Water/Acetonitrile 50/50 (v/v)



Ib. Mass Spectrum

Method: 4.5 kV ESI; vaporization temperature: 200 °C, direct inlet

m/z fragments

376 [ M – H ]

211 [ C8H7N2O3S ]

147 [ C8H7N2O ]

The signals of the mass spectrum and their interpretation are consistent with the structural formula.



I. Identity

The identity of the reference substance was established by following analyses.

Ia. 1H-NMR Spectrum

Conditions: 400 MHz, DMSO-d6

The structure is confirmed with the signals of the spectrum and their interpretation.


6 pages

Catalogue Number: MM0095.16

Lot Number: 15573

Long-term Storage: 2 to 8 °C, dark

Appearance: white solid

Melting Point: 185 °C (dec.)

Assay ‘as is’: 99.2 %

Reference Substance

4-Methoxy-2-[[(5-methoxy-1H-benzimidazol-2-yl)sulphonyl]methyl]-3,5-dimethylpyridine 1-Oxide (Omeprazole Sulphone N-Oxide)

N

OS

NH

N

O

OO O

Molecular Formula: C17H19N3O5S Molecular Weight: 377.42 CAS Number: [ 158812-85-2 ]

Date of shipment:

This certificate is valid for two years from the date of shipment provided the substance is stored under the recommended conditions.

Certificate of analysis - impurities reference materials

CERTIFICATE

analysis • consultancy• validation • research

LGC GmbH, Im Biotechnologiepark, TGZ II, D-14943 Luckenwalde, GermanyTel: +49 3371 68 16 80 Fax: +49 3371 68 16 89 Web: www.lgcgroup.com


6 pages


Lot Number: 15573





Reference Substance


N

OS

NH

N

O

OO O


Date of shipment:



CERTIFICATE





III. Water Content






Method: 1H-NMR


0.04 % n-Hexane

V. Final Result




Assay (100 % method)1 99.15 %





Product Release




contribution.



Minutes0 5 10 15 20 25 30 35

mA

U

0

100

200

300

400

500

600

mA

U

0

100

200

300

400

500

600

3.66

5.95

8.40

12.7

2

15.1

8

23.0

7




Totals 6755860 100.00








Ic. IR Spectrum



II. Purity


HPLC Conditions:




0.1 % H3PO4

220 nm 5 µl; 0.0654 mg/ml in




Ib. Mass Spectrum


m/z fragments

376 [ M – H ]

211 [ C8H7N2O3S ]

147 [ C8H7N2O ]




I. Identity


Ia. 1H-NMR Spectrum




Example certificate of analysis Page 2

6 pages


Lot Number: 15573





Reference Substance


N

OS

NH

N

O

OO O


Date of shipment:



CERTIFICATE





I. Identity


Ia. 1H-NMR Spectrum





III. Water Content






Method: 1H-NMR


0.04 % n-Hexane

V. Final Result




Assay (100 % method)1 99.15 %





Product Release




contribution.



Minutes0 5 10 15 20 25 30 35

mA

U

0

100

200

300

400

500

600

mA

U

0

100

200

300

400

500

600

3.66

5.95

8.40

12.7

2

15.1

8

23.0

7




Totals 6755860 100.00








Ic. IR Spectrum



II. Purity


HPLC Conditions:




0.1 % H3PO4

220 nm 5 µl; 0.0654 mg/ml in




Ib. Mass Spectrum


m/z fragments

376 [ M – H ]

211 [ C8H7N2O3S ]

147 [ C8H7N2O ]





I. Identity


Ia. 1H-NMR Spectrum




6 pages


Lot Number: 15573





Reference Substance


N

OS

NH

N

O

OO O


Date of shipment:



CERTIFICATE





Ib. Mass Spectrum


m/z fragments

376 [ M – H ]

211 [ C8H7N2O3S ]

147 [ C8H7N2O ]




III. Water Content






Method: 1H-NMR


0.04 % n-Hexane

V. Final Result




Assay (100 % method)1 99.15 %





Product Release




contribution.



Minutes0 5 10 15 20 25 30 35

mA

U

0

100

200

300

400

500

600

mA

U

0

100

200

300

400

500

600

3.66

5.95

8.40

12.7

2

15.1

8

23.0

7




Totals 6755860 100.00








Ic. IR Spectrum



II. Purity


HPLC Conditions:




0.1 % H3PO4

220 nm 5 µl; 0.0654 mg/ml in





Ib. Mass Spectrum


m/z fragments

376 [ M – H ]

211 [ C8H7N2O3S ]

147 [ C8H7N2O ]




I. Identity


Ia. 1H-NMR Spectrum




6 pages


Lot Number: 15573





Reference Substance


N

OS

NH

N

O

OO O


Date of shipment:



CERTIFICATE





Ic. IR Spectrum



II. Purity


HPLC Conditions:




0.1 % H3PO4

220 nm 5 µl; 0.0654 mg/ml in




III. Water Content






Method: 1H-NMR


0.04 % n-Hexane

V. Final Result




Assay (100 % method)1 99.15 %





Product Release




contribution.



Minutes0 5 10 15 20 25 30 35

mA

U

0

100

200

300

400

500

600

mA

U

0

100

200

300

400

500

600

3.66

5.95

8.40

12.7

2

15.1

8

23.0

7




Totals 6755860 100.00









Ic. IR Spectrum



II. Purity


HPLC Conditions:




0.1 % H3PO4

220 nm 5 µl; 0.0654 mg/ml in




Ib. Mass Spectrum


m/z fragments

376 [ M – H ]

211 [ C8H7N2O3S ]

147 [ C8H7N2O ]




I. Identity


Ia. 1H-NMR Spectrum




6 pages


Lot Number: 15573





Reference Substance


N

OS

NH

N

O

OO O


Date of shipment:



CERTIFICATE





Minutes0 5 10 15 20 25 30 35

mA

U

0

100

200

300

400

500

600

mA

U

0

100

200

300

400

500

600

3.66

5.95

8.40

12.7

2

15.1

8

23.0

7




Totals 6755860 100.00








III. Water Content






Method: 1H-NMR


0.04 % n-Hexane

V. Final Result




Assay (100 % method)1 99.15 %





Product Release




contribution.



Minutes0 5 10 15 20 25 30 35

mA

U

0

100

200

300

400

500

600

mA

U

0

100

200

300

400

500

600

3.66

5.95

8.40

12.7

2

15.1

8

23.0

7




Totals 6755860 100.00









Ic. IR Spectrum



II. Purity


HPLC Conditions:




0.1 % H3PO4

220 nm 5 µl; 0.0654 mg/ml in




Ib. Mass Spectrum


m/z fragments

376 [ M – H ]

211 [ C8H7N2O3S ]

147 [ C8H7N2O ]




I. Identity


Ia. 1H-NMR Spectrum




6 pages


Lot Number: 15573





Reference Substance


N

OS

NH

N

O

OO O


Date of shipment:



CERTIFICATE





III. Water Content






Method: 1H-NMR


0.04 % n-Hexane

V. Final Result




Assay (100 % method)1 99.15 %





Product Release




contribution.


LGC impurities according to USP declaration system

Acebutolol Related Compound A (N-(3-Acetyl-4-hydroxyphenyl)butanamide)O

OH

N

H

O

CAS 40188-45-2

M.W. 221.2524

C12

H15

N O3

Producer Code Quantity / Comment

LGC MM 0435.03 100 mg

USP 1000612 20 mg

Acebutolol Related Compound I (N-[3-Acetyl-4-[(2RS)-3-(ethylamino)-2-hydroxypropoxy]

phenyl]butanamide)

O

O N

H

OH

N

H

O

CAS 441019-91-6

M.W. 322.3993

C17

H26

N2

O4


LGC MM 0435.09 50 mg

USP 1000699 20 mg

Acetaminophen Related Compound A (4-(Acetylamino)phenyl Acetate (N,O-Diacetyl-4-

aminophenol))

N

H

O

O

O

CAS 2623-33-8

M.W. 193.1992

C10

H11

N O3


LGC MM 0042.04 100 mg

USP 1003010 15 mg

Acetaminophen Related Compound B (N-(4-Hydroxyphenyl)-propanamide (N-Propionyl-4

-aminophenol))

N

H

O

OH

CAS 1693-37-4

M.W. 165.1891

C9

H11

N O2


LGC MM 0042.05 100 mg

USP 1003027 30 mg

Acetaminophen Related Compound C (N-(2-Hydroxyphenyl)-acetamide (2-

Acetamidophenol))

N

H

O

OH

CAS 614-80-2

M.W. 151.1626

C8

H9

N O2


LGC MM 0042.08 100 mg

USP 1003031 50 mg

Acetaminophen Related Compound D (N-Phenylacetamide (Acetanilide))

N

H

O

CAS 103-84-4

M.W. 135.1632

C8

H9

N O


LGC MM 0042.10 100 mg

USP 1003042 50 mg

Acetaminophen Related Compound F (4-Nitrophenol)

N

+

O

O

OH

CAS 100-02-7

M.W. 139.1088

C6

H5

N O3


LGC MM 0042.03 100 mg

USP 1003064 50 mg

[email protected] don't find what you are looking for? Suggest a reference standard by emailing

Visit us at www.lgcstandards.com.1

Symyx 05261514092D 1 1.00000 0.00000 0

16 16 0 0 0 999 V2000 6.0713 2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 6.0713 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 7.2851 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 8.4990 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 8.4990 2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 7.2851 2.8193 0.0000 C 0 0 0 0 0 0 0 0 0 7.2851 4.2193 0.0000 C 0 0 0 0 0 0 0 0 0 6.0727 4.9193 0.0000 O 0 0 0 0 0 0 0 0 0 8.4976 4.9193 0.0000 C 0 0 0 0 0 0 0 0 0 9.7122 2.8135 0.0000 O 0 0 0 0 0 0 0 0 0 4.8581 0.0058 0.0000 N 0 0 0 0 0 0 0 0 0 3.6373 0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 2.1106 0.0000 O 0 0 0 0 0 0 0 0 0 1.2124 0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 5 10 1 0 0 0 2 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0M END

http://www.lgcstandards.com/GB/en/search/?searchPropertyName=code&text=MM0435.03

Symyx 05261514092D 1 1.00000 0.00000 0

23 23 0 0 0 999 V2000 6.0713 2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 6.0713 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 7.2851 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 8.4990 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 8.4990 2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 7.2851 2.8193 0.0000 C 0 0 0 0 0 0 0 0 0 7.2851 4.2193 0.0000 C 0 0 0 0 0 0 0 0 0 6.0727 4.9193 0.0000 O 0 0 0 0 0 0 0 0 0 8.4976 4.9193 0.0000 C 0 0 0 0 0 0 0 0 0 9.7122 2.8135 0.0000 O 0 0 0 0 0 0 0 0 0 10.9238 2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 12.1371 2.8108 0.0000 C 0 0 3 0 0 0 0 0 0 13.3487 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 12.1386 4.2108 0.0000 O 0 0 0 0 0 0 0 0 0 14.5619 2.8080 0.0000 N 0 0 0 0 0 0 0 0 0 15.7736 2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 16.9868 2.8053 0.0000 C 0 0 0 0 0 0 0 0 0 4.8581 0.0058 0.0000 N 0 0 0 0 0 0 0 0 0 3.6373 0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 2.1106 0.0000 O 0 0 0 0 0 0 0 0 0 1.2124 0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 5 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 2 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

14 14 0 0 0 999 V2000 6.0869 2.1589 0.0000 C 0 0 0 0 0 0 0 0 0 7.2925 2.8494 0.0000 N 0 0 0 0 0 0 0 0 0 8.4980 2.1589 0.0000 C 0 0 0 0 0 0 0 0 0 4.8616 2.8494 0.0000 C 0 0 0 0 0 0 0 0 0 3.6462 2.1589 0.0000 C 0 0 0 0 0 0 0 0 0 3.6462 0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 4.8616 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 6.0869 0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 9.7043 2.8494 0.0000 C 0 0 0 0 0 0 0 0 0 8.4980 0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 2.4308 0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 1.2055 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 1.2055 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 1 8 1 0 0 0 3 9 1 0 0 0 3 10 2 0 0 0 6 11 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 12 14 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

12 12 0 0 0 999 V2000 3.6561 2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8616 2.8198 0.0000 N 0 0 0 0 0 0 0 0 0 6.0672 2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2.4308 2.8198 0.0000 C 0 0 0 0 0 0 0 0 0 1.2154 2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2154 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.4308 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6561 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2735 2.8198 0.0000 C 0 0 0 0 0 0 0 0 0 6.0672 0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 8.4790 2.1194 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 1 8 1 0 0 0 3 9 1 0 0 0 3 10 2 0 0 0 6 11 1 0 0 0 9 12 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

11 11 0 0 0 999 V2000 1.2147 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4264 2.0987 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 0.6987 0.0000 C 0 0 0 0 0 0 0 0 0 1.2117 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0.0015 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 1.2162 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 4.8512 2.0961 0.0000 C 0 0 0 0 0 0 0 0 0 4.8497 0.6961 0.0000 O 0 0 0 0 0 0 0 0 0 6.0644 2.7948 0.0000 C 0 0 0 0 0 0 0 0 0 3.6396 2.7974 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 1 6 2 0 0 0 1 7 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 2 11 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

10 10 0 0 0 999 V2000 2.4407 2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6462 2.8198 0.0000 N 0 0 0 0 0 0 0 0 0 4.8518 2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2154 2.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2154 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4407 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 6.0581 2.8296 0.0000 C 0 0 0 0 0 0 0 0 0 4.8518 0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 1 8 1 0 0 0 3 9 1 0 0 0 3 10 2 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

10 10 0 0 0 999 V2000 3.6393 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 4.8393 2.8068 0.0000 N 0 3 0 0 0 0 0 0 0 4.8393 4.2068 0.0000 O 0 0 0 0 0 0 0 0 0 6.0518 2.1068 0.0000 O 0 5 0 0 0 0 0 0 0 2.4197 2.8068 0.0000 C 0 0 0 0 0 0 0 0 0 1.2098 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 1.2098 0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 2.4197 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6393 0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 1 9 1 0 0 0 7 10 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0M CHG 2 2 1 4 -1M END

http://www.lgcstandards.com/GB/en/search/?searchPropertyName=code&text=MM0042.03mailto:[email protected]://www.lgcstandards.com


Acetaminophen Related Compound J (N-(4-Chlorophenyl)acetamide (4-

Chloroacetanilide))

N

H

O

Cl

CAS 539-03-7

M.W. 169.6082

C8

H8

Cl N O


LGC MM 0042.02 100 mg

USP 1003100 50 mg

Acetyl Simvastatin ((1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(Acetyloxy)-6-oxotetrahydro-2H-

pyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-

Dimethylbutanoate)

O

O

O

O

H

O O

CAS 145576-25-6

M.W. 460.6029

C27

H40

O6


LGC MM 0158.02 100 mg

USP 1010208 30 mg

Acyclovir Related Compound A (2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]

ethyl Acetate)

N

NH

O

NH2

N

N

O

O

O

CAS 102728-64-3

M.W. 267.2413

C10

H13

N5

O4


LGC MM 0061.01 100 mg

USP 1012076 50 mg

Acyclovir Related Compound F (N-[9-[(2-Hydroxyethoxy)-methyl]-6-oxo-6,9-dihydro-1H-

purin-2-yl]acetamide)

N

NH

O

N

H

O

N

N

O

OH

CAS 110104-37-5

M.W. 267.2413

C10

H13

N5

O4


LGC MM 0061.06 100 mg

USP 1012054 50 mg

Acyclovir Related Compound G (2-[[(2-(Acetylamino)-6-oxo-1,6-dihydro-9H-purin-9-yl]-

methoxy]ethyl Acetate)

N

NH

O

N

H

O

N

N

O

O

O

CAS 75128-73-3

M.W. 309.278

C12

H15

N5

O5


LGC MM 0061.07 100 mg

USP 1012087 50 mg

Adapalene Related Compound C (1-(2-Methoxyphenyl)tricyclo[3.3.1.13,7]decane)

O

CAS 43109-77-9

M.W. 242.356

C17

H22

O


LGC MM 0681.01 50 mg

USP 1011732 25 mg

Adapalene Related Compound D (1,1'-[4,4'Bis(methoxy)biphenyl-3,3'-diyl]bis(tricyclo

[3.3.1.13,7]decane))

O

O

CAS 932033-57-3

M.W. 482.6961

C34

H42

O2


LGC MM 0681.02 50 mg

USP 1011743 25 mg



Symyx 05261514092D 1 1.00000 0.00000 0

11 11 0 0 0 999 V2000 3.6561 2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 4.8616 2.8198 0.0000 N 0 0 0 0 0 0 0 0 0 6.0672 2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 2.4308 2.8198 0.0000 C 0 0 0 0 0 0 0 0 0 1.2154 2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 1.2154 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 2.4308 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6561 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2735 2.8198 0.0000 C 0 0 0 0 0 0 0 0 0 6.0672 0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 1 8 1 0 0 0 3 9 1 0 0 0 3 10 2 0 0 0 6 11 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

34 36 0 1 0 999 V2000 1.2154 3.5004 0.0000 C 0 0 0 0 0 0 0 0 0 1.2154 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 2.4209 1.4000 0.0000 C 0 0 1 0 0 0 0 0 0 3.6265 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 3.6265 3.5004 0.0000 C 0 0 1 0 0 0 0 0 0 2.4209 4.2000 0.0000 C 0 0 2 0 0 0 0 0 0 2.4209 5.5909 0.0000 C 0 0 2 0 0 0 0 0 0 1.2154 6.2806 0.0000 C 0 0 2 0 0 0 0 0 0 0.0000 5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2154 7.6814 0.0000 C 0 0 0 0 0 0 0 0 0 3.6265 4.9004 0.0000 H 0 0 0 0 0 0 0 0 0 2.4209 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8419 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 6.0573 3.5004 0.0000 C 0 0 0 0 0 0 0 0 0 7.2727 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 6.0573 2.0996 0.0000 C 0 0 3 0 0 0 0 0 0 4.8419 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 7.2727 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0573 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 8.4881 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 3.6265 6.2806 0.0000 C 0 0 0 0 0 0 0 0 0 4.8419 5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 6.0573 6.2806 0.0000 C 0 0 2 0 0 0 0 0 0 7.2727 5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 8.4881 6.2806 0.0000 C 0 0 2 0 0 0 0 0 0 8.4881 7.6814 0.0000 C 0 0 0 0 0 0 0 0 0 7.2727 8.3810 0.0000 C 0 0 0 0 0 0 0 0 0 6.0573 7.6814 0.0000 O 0 0 0 0 0 0 0 0 0 7.2727 9.7810 0.0000 O 0 0 0 0 0 0 0 0 0 9.6936 5.5909 0.0000 O 0 0 0 0 0 0 0 0 0 10.9091 6.2905 0.0000 C 0 0 0 0 0 0 0 0 0 10.9091 7.6905 0.0000 O 0 0 0 0 0 0 0 0 0 12.1245 5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 1 10 1 0 0 0 8 11 1 6 0 0 6 12 1 6 0 0 3 13 1 1 0 0 5 14 1 1 0 0 14 15 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 19 21 1 0 0 0 7 22 1 6 0 0 22 23 1 0 0 0 24 23 1 1 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 24 29 1 0 0 0 28 30 2 0 0 0 26 31 1 6 0 0 31 32 1 0 0 0 32 33 2 0 0 0 32 34 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

19 20 0 0 0 999 V2000 5.4090 -3.9603 0.0000 C 0 0 0 0 0 0 0 0 0 5.4090 -5.1463 0.0000 C 0 0 0 0 0 0 0 0 0 4.3878 -5.7396 0.0000 N 0 0 0 0 0 0 0 0 0 3.3665 -5.1463 0.0000 C 0 0 0 0 0 0 0 0 0 3.3665 -3.9603 0.0000 N 0 0 0 0 0 0 0 0 0 4.3878 -3.3670 0.0000 C 0 0 0 0 0 0 0 0 0 6.5294 -3.5981 0.0000 N 0 0 0 0 0 0 0 0 0 7.2135 -4.5530 0.0000 C 0 0 0 0 0 0 0 0 0 6.5294 -5.4925 0.0000 N 0 0 3 0 0 0 0 0 0 4.3878 -2.1810 0.0000 O 0 0 0 0 0 0 0 0 0 2.3369 -5.7396 0.0000 N 0 0 0 0 0 0 0 0 0 7.1227 -6.5054 0.0000 C 0 0 0 0 0 0 0 0 0 8.3003 -6.5054 0.0000 O 0 0 0 0 0 0 0 0 0 8.8936 -5.4925 0.0000 C 0 0 0 0 0 0 0 0 0 10.0713 -5.4925 0.0000 C 0 0 0 0 0 0 0 0 0 10.6645 -4.4706 0.0000 O 0 0 0 0 0 0 0 0 0 11.8506 -4.4706 0.0000 C 0 0 0 0 0 0 0 0 0 12.4438 -3.4410 0.0000 C 0 0 0 0 0 0 0 0 0 12.4438 -5.5002 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 2 9 1 0 0 0 6 10 2 0 0 0 4 11 1 0 0 0 9 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

19 20 0 0 0 999 V2000 6.0725 3.0168 0.0000 C 0 0 0 0 0 0 0 0 0 6.0725 1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 4.8620 0.9077 0.0000 N 0 0 0 0 0 0 0 0 0 3.6514 1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 3.6514 3.0168 0.0000 N 0 0 0 0 0 0 0 0 0 4.8620 3.7193 0.0000 C 0 0 0 0 0 0 0 0 0 7.4005 3.4462 0.0000 N 0 0 0 0 0 0 0 0 0 8.2113 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 7.4005 1.2006 0.0000 N 0 0 3 0 0 0 0 0 0 4.8620 5.1259 0.0000 O 0 0 0 0 0 0 0 0 0 2.4310 0.9077 0.0000 N 0 0 0 0 0 0 0 0 0 8.1038 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 9.4997 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 10.2030 1.2006 0.0000 C 0 0 0 0 0 0 0 0 0 11.5989 1.2006 0.0000 C 0 0 0 0 0 0 0 0 0 12.3021 2.4112 0.0000 O 0 0 0 0 0 0 0 0 0 1.2105 1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 1.2006 3.0168 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 2 9 1 0 0 0 6 10 2 0 0 0 4 11 1 0 0 0 9 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 11 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

22 23 0 0 0 999 V2000 6.0733 2.9970 0.0000 C 0 0 0 0 0 0 0 0 0 6.0733 1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 4.8620 0.9077 0.0000 N 0 0 0 0 0 0 0 0 0 3.6514 1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 3.6514 2.9970 0.0000 N 0 0 0 0 0 0 0 0 0 4.8620 3.7002 0.0000 C 0 0 0 0 0 0 0 0 0 7.4005 3.4462 0.0000 N 0 0 0 0 0 0 0 0 0 8.2113 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 7.4005 1.2006 0.0000 N 0 0 3 0 0 0 0 0 0 4.8620 5.1061 0.0000 O 0 0 0 0 0 0 0 0 0 2.4310 0.9077 0.0000 N 0 0 0 0 0 0 0 0 0 8.1038 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 9.4997 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 10.2030 1.2006 0.0000 C 0 0 0 0 0 0 0 0 0 11.5988 1.2006 0.0000 C 0 0 0 0 0 0 0 0 0 12.3021 2.4111 0.0000 O 0 0 0 0 0 0 0 0 0 1.2105 1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 1.2105 2.9970 0.0000 O 0 0 0 0 0 0 0 0 0 13.7079 2.4020 0.0000 C 0 0 0 0 0 0 0 0 0 14.4211 3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 14.4013 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 2 9 1 0 0 0 6 10 2 0 0 0 4 11 1 0 0 0 9 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 11 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 16 20 1 0 0 0 20 21 2 0 0 0 20 22 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

18 21 0 0 0 999 V2000 0.0000 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2308 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 1.2308 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0.7000 0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 1.8301 1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0622 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0622 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8497 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 1 9 1 0 0 0 9 8 1 0 0 0 3 10 1 0 0 0 10 8 1 0 0 0 5 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

36 43 0 0 0 999 V2000 0.0000 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2308 2.0856 0.0000 C 0 0 0 0 0 0 0 0 0 1.2308 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0.7000 0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 1.8301 1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0622 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0622 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8497 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 7.2746 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 7.2746 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 8.4871 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 9.6995 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 9.6995 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 8.4871 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 13.3368 2.8000 0.0000 C 0 0 3 0 0 0 0 0 0 13.3368 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 12.1244 4.9000 0.0000 C 0 0 3 0 0 0 0 0 0 10.9119 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 12.1244 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 12.1060 2.7794 0.0000 C 0 0 0 0 0 0 0 0 0 12.1060 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 12.6368 3.9918 0.0000 C 0 0 0 0 0 0 0 0 0 11.5067 3.8729 0.0000 C 0 0 0 0 0 0 0 0 0 10.9119 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 12.1244 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 10.9119 2.8000 0.0000 C 0 0 3 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 1 9 1 0 0 0 9 8 1 0 0 0 3 10 1 0 0 0 10 8 1 0 0 0 5 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 13 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 19 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 36 1 0 0 0 36 29 1 0 0 0 29 25 1 0 0 0 36 30 1 0 0 0 30 31 1 0 0 0 25 32 1 0 0 0 32 31 1 0 0 0 27 33 1 0 0 0 33 31 1 0 0 0 22 34 1 0 0 0 34 35 1 0 0 0 23 36 1 0 0 0M END



Adapalene Related Compound E (2,2'-Binaphthalene-6,6'-dicarboxylic Acid)

OH

O

O

O H

CAS 932033-58-4

M.W. 342.3442

C22

H14

O4


LGC MM 0681.03 50 mg

USP 1011754 25 mg

Albuterol Related Compound A ((1RS)-2-[(1,1-Dimethylethyl)amino]-1-(4-hydroxy-3-

methylphenyl)ethanol) N

H

OH

OH

CAS 18910-68-4

M.W. 223.3113

C13

H21

N O2


LGC MM 0381.03 50 mg

USP 1012644 25 mg

Allopurinol Related Compound A (5-Amino-1H-pyrazole-4-carboxamide Hemisulphate)

2

N H2

O

N

N

H

N H2

S

O

O

OH OH

CAS 27511-79-1

M.W. 350.3118

2 C4

H6

N4

O . H2

O4

S


LGC MM 0034.01 100 mg

USP 1013024 25 mg

Allopurinol Related Compound D (Ethyl 5-Amino-1H-pyrazole-4-carboxylate)

O

O

N

N

H

N H2

CAS 6994-25-8

M.W. 155.1546

C6

H9

N3

O2


LGC MM 0034.05 100 mg

USP 1013046 35 mg

Allopurinol Related Compound E (Ethyl 5-(Formylamino)-1H-pyrazole-4-carboxylate)

O

O

N

N

H

N

H

O

CAS 31055-19-3

M.W. 183.1647

C7

H9

N3

O3


LGC MM 0034.06 100 mg

USP 1013068 25 mg

Amiloride Related Compound A (Methyl 3,5-Diamino-6-chloropyrazine-2-carboxylate)

N

N

O

O

N H2

NH2

Cl

CAS 1458-01-1

M.W. 202.5984

C6

H7

Cl N4

O2


LGC MM 0560.01 100 mg

USP 1019712 30 mg

4-Aminobenzoic Acid

OH

O

NH2

CAS 150-13-0

M.W. 137.136

C7

H7

N O2


LGC MM 0094.03 100 mg

USP 1019803 200 mg

4-Aminobenzoylglutamic Acid ((2S)-2-[(4-Aminobenzoyl)amino]pentanedioic Acid)

N

H

OH

O

O OH

O

NH2

CAS 4271-30-1

M.W. 266.25

C12

H14

N2

O5


LGC MM 0621.01 100 mg

USP 1019870 50 mg



Symyx 05261514092D 1 1.00000 0.00000 0

26 29 0 0 0 999 V2000 9.6995 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 10.9119 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 10.9119 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 9.6995 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 8.4870 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 8.4870 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 7.2746 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0622 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8497 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8497 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0622 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 7.2746 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2124 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 7.7000 0.0000 O 0 0 0 0 0 0 0 0 0 1.2124 9.8000 0.0000 O 0 0 0 0 0 0 0 0 0 9.6995 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 10.9119 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 12.1244 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 12.1244 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 13.3368 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 13.3368 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 14.5492 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 9 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 10 1 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 1 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 2 1 0 0 0 22 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

16 16 0 0 0 999 V2000 1.2147 3.4985 0.0000 C 0 0 0 0 0 0 0 0 0 1.2147 2.0985 0.0000 C 0 0 0 0 0 0 0 0 0 2.4196 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 3.6245 2.0985 0.0000 C 0 0 0 0 0 0 0 0 0 3.6245 3.4985 0.0000 C 0 0 0 0 0 0 0 0 0 2.4196 4.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 1.3992 0.0000 O 0 0 0 0 0 0 0 0 0 2.4196 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.8393 4.1977 0.0000 C 0 0 3 0 0 0 0 0 0 6.0540 3.4985 0.0000 C 0 0 0 0 0 0 0 0 0 4.8393 5.5970 0.0000 O 0 0 0 0 0 0 0 0 0 7.2688 4.1977 0.0000 N 0 0 0 0 0 0 0 0 0 8.4835 3.4985 0.0000 C 0 0 3 0 0 0 0 0 0 9.6983 4.1977 0.0000 C 0 0 0 0 0 0 0 0 0 8.4835 2.0985 0.0000 C 0 0 0 0 0 0 0 0 0 9.6983 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

23 22 0 0 0 999 V2000 7.6092 -5.3692 0.0000 C 0 0 0 0 0 0 0 0 0 7.6092 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 8.6346 -3.5973 0.0000 C 0 0 0 0 0 0 0 0 0 9.6682 -4.1875 0.0000 N 0 0 0 0 0 0 0 0 0 8.6346 -5.9677 0.0000 N 0 0 0 0 0 0 0 0 0 6.4935 -5.7300 0.0000 N 0 0 0 0 0 0 0 0 0 5.8129 -4.7784 0.0000 N 0 0 0 0 0 0 0 0 0 6.4935 -3.8434 0.0000 C 0 0 0 0 0 0 0 0 0 8.6346 -2.4162 0.0000 O 0 0 0 0 0 0 0 0 0 13.8382 -4.7545 0.0000 S 0 0 3 0 0 0 0 0 0 13.8382 -5.9356 0.0000 O 0 0 0 0 0 0 0 0 0 13.8382 -3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 12.6571 -4.7545 0.0000 O 0 0 0 0 0 0 0 0 0 15.0193 -4.7545 0.0000 O 0 0 0 0 0 0 0 0 0 7.6092 -5.3692 0.0000 C 0 0 0 0 0 0 0 0 0 7.6092 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 8.6346 -3.5973 0.0000 C 0 0 0 0 0 0 0 0 0 9.6682 -4.1875 0.0000 N 0 0 0 0 0 0 0 0 0 8.6346 -5.9677 0.0000 N 0 0 0 0 0 0 0 0 0 6.4935 -5.7300 0.0000 N 0 0 0 0 0 0 0 0 0 5.8129 -4.7784 0.0000 N 0 0 0 0 0 0 0 0 0 6.4935 -3.8434 0.0000 C 0 0 0 0 0 0 0 0 0 8.6346 -2.4162 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 1 5 1 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 2 1 0 0 0 9 3 2 0 0 0 10 11 2 0 0 0 10 12 2 0 0 0 10 13 1 0 0 0 10 14 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 15 19 1 0 0 0 20 15 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 16 1 0 0 0 23 17 2 0 0 0M STY 1 1 MULM SLB 1 1 1M SCN 1 1 HTM SAL 1 15 1 2 3 4 5 6 7 8 9 15 16 17 18 19 20M SAL 1 3 21 22 23M SPA 1 9 1 2 3 4 5 6 7 8 9M SMT 1 2M SDI 1 4 10.6498 -2.0386 10.6498 -6.5828M SDI 1 4 5.3814 -6.5828 5.3814 -2.0386M END


Symyx 05261514092D 1 1.00000 0.00000 0

11 11 0 0 0 999 V2000 2.1292 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 2.1292 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 3.3447 2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 4.5699 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 3.3447 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0.8067 0.2818 0.0000 N 0 0 0 0 0 0 0 0 0 0.0000 1.4099 0.0000 N 0 0 0 0 0 0 0 0 0 0.8067 2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 3.3447 4.2099 0.0000 O 0 0 0 0 0 0 0 0 0 5.7853 2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 6.9909 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 1 5 1 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 2 1 0 0 0 9 3 2 0 0 0 4 10 1 0 0 0 10 11 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

13 13 0 0 0 999 V2000 2.1281 0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 2.1281 2.1091 0.0000 C 0 0 0 0 0 0 0 0 0 3.3428 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 4.5675 2.1091 0.0000 O 0 0 0 0 0 0 0 0 0 3.3428 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0.8063 0.2817 0.0000 N 0 0 0 0 0 0 0 0 0 0.0000 1.4091 0.0000 N 0 0 0 0 0 0 0 0 0 0.8063 2.5168 0.0000 C 0 0 0 0 0 0 0 0 0 3.3428 4.2076 0.0000 O 0 0 0 0 0 0 0 0 0 5.7822 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 6.9871 2.1091 0.0000 C 0 0 0 0 0 0 0 0 0 4.5576 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 5.7723 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 1 5 1 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 2 1 0 0 0 9 3 2 0 0 0 4 10 1 0 0 0 10 11 1 0 0 0 5 12 1 0 0 0 12 13 2 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

13 13 0 0 0 999 V2000 1.2124 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 1.2124 0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 2.4268 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 3.6411 0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 3.6411 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 2.4268 2.8044 0.0000 N 0 0 0 0 0 0 0 0 0 0.0000 2.8033 0.0000 Cl 0 0 0 0 0 0 0 0 0 4.8536 0.0011 0.0000 N 0 0 0 0 0 0 0 0 0 4.8536 2.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.0011 0.0000 N 0 0 0 0 0 0 0 0 0 6.0660 2.1033 0.0000 O 0 0 0 0 0 0 0 0 0 4.8536 4.2033 0.0000 O 0 0 0 0 0 0 0 0 0 7.2784 2.8033 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 2 10 1 0 0 0 9 11 1 0 0 0 9 12 2 0 0 0 11 13 1 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

10 10 0 0 0 999 V2000 1.2118 0.7020 0.0000 C 0 0 0 0 0 0 0 0 0 2.4254 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6371 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 3.6353 2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 2.4273 2.7951 0.0000 C 0 0 0 0 0 0 0 0 0 1.2156 2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.0024 0.0000 N 0 0 0 0 0 0 0 0 0 4.8478 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 6.0607 2.0989 0.0000 O 0 0 0 0 0 0 0 0 0 4.8459 4.2029 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0M END


Symyx 05261514092D 1 1.00000 0.00000 0

19 19 0 1 0 999 V2000 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 4.8497 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0622 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 4.8497 5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 7.2746 4.2000 0.0000 C 0 0 1 0 0 0 0 0 0 8.4870 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 8.4870 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 9.6995 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 10.9119 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 9.6995 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 7.2746 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0622 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 8.4870 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 11 17 1 6 0 0 17 18 2 0 0 0 17 19 1 0 0 0M END



2-Amino-5-chlorobenzophenoneN H

2

O

Cl

CAS 719-59-5

M.W. 231.6776

C13

H10

Cl N O


LGC MM 0028.03 100 mg

USP 1022808 25 mg

4-Aminophenol

NH2

OH

CAS 123-30-8

M.W. 109.1259

C6

H7

N O

Producer

Documents

O WEBSHOP Impurity testing beyond pharmacopeial methods · How to navigate your way through the reference materials maze? Pharmacopoeial/Monograph standards A pharmacopoeial reference