5
5-Fluoro-ADBICA The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. Page 1 of 5 SWGDRUG.org/monographs.htm Latest Revision: 1/7/2015 N F NH NH 2 CH 3 C H 3 C H 3 O O 1. GENERAL INFORMATION IUPAC Name: N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-1 H-indole-3-carboxamide CAS#: Not Available Synonyms: 5F-ADBICA Source: DEA Reference Material Collection Appearance: Solution UV max (nm): Not Determined 2. CHEMICAL AND PHYSICAL DATA 2.1 CHEMICAL DATA Form Chemical Formula Molecular Weight Melting Point ( o C) Base C 20 H 28 FN 3 O 2 361 Not Determined

5-Fluoro-ADBICA - SWGDRUG · 5-Fluoro-ADBICA The Drug Enforcement Administration's Special Testing and Research Laboratory ... ADB-FUBINACA and ADBICA, and five synthetic cannabinoids

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Page 1: 5-Fluoro-ADBICA - SWGDRUG · 5-Fluoro-ADBICA The Drug Enforcement Administration's Special Testing and Research Laboratory ... ADB-FUBINACA and ADBICA, and five synthetic cannabinoids

5-Fluoro-ADBICAThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 1 of 5SWGDRUG.org/monographs.htmLatest Revision: 1/7/2015

N

F

NH

NH2

CH3CH3

CH3

O

O

1. GENERAL INFORMATION

IUPAC Name: N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide

CAS#: Not Available

Synonyms: 5F-ADBICA

Source: DEA Reference Material Collection

Appearance: Solution

UVmax(nm): Not Determined

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA

Form Chemical Formula Molecular Weight Melting Point (oC)

Base C20H28FN3O2 361 Not Determined

Page 2: 5-Fluoro-ADBICA - SWGDRUG · 5-Fluoro-ADBICA The Drug Enforcement Administration's Special Testing and Research Laboratory ... ADB-FUBINACA and ADBICA, and five synthetic cannabinoids

5-Fluoro-ADBICAThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 1/7/2015

3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~5 mg/mL in CDCl3 containing TMS for 0 ppm reference anddimethylsulfone as quantitative internal standard.

Instrument: 400 MHz NMR spectrometerParameters: Spectral width: at least containing -3 ppm through 13 ppm Pulse angle: 90o

Delay between pulses: 45 seconds1H NMR: 5-fluoro-ADBICA Lot # 0451075-15; CDCl3; 400MHz

8 7 6 5 4 3 2 1 0

0

1

2

3

4

5

6

722221111112111

CDCl3

solventsolvent

dimethylsulfone

TMS

1.15

7

7.35

21

CDCl3

6.300

1

1.75 1.50

222

5.750

1

6.750

1

8.025 8.000

1

4.50 4.25

2111

7.74

1 9

9

Page 3: 5-Fluoro-ADBICA - SWGDRUG · 5-Fluoro-ADBICA The Drug Enforcement Administration's Special Testing and Research Laboratory ... ADB-FUBINACA and ADBICA, and five synthetic cannabinoids

5-Fluoro-ADBICAThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 3 of 5SWGDRUG.org/monographs.htmLatest Revision: 1/7/2015

3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY

Sample Preparation: Dilute analyte ~4 mg/mL in methanol.

Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1 mL/minTemperatures: Injector: 280oC MSD transfer line: 280oC MS Source: 230oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 300oC at 12 oC/min 3) Hold final temperature for 25.0 minInjection Parameters: Split Ratio = 25:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scanRetention Time: 18.056 min

EI Mass Spectrum: 5-fluoro-ADBICA Lot # 0451075-15

m/z35030025020015010050

[x 1

05 ]In

tens

ity

1

2

3

4

5

636

136

136

136

136

136

136

136

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136

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136

136

136

136

1

329

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32931

731

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731

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731

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731

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7

305

305

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30528

828

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828

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828

828

828

828

828

828

828

828

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828

828

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828

8

260

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184

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12911

611

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6

102

102

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102

898989 8989898989 8989898989 8989898989 89898989696969 6969696969 6969696969 6969696969 69696969575757 5757575757 5757575757 5757575757 57575757

414141 4141414141 4141414141 4141414141 41414141

EI+

Page 4: 5-Fluoro-ADBICA - SWGDRUG · 5-Fluoro-ADBICA The Drug Enforcement Administration's Special Testing and Research Laboratory ... ADB-FUBINACA and ADBICA, and five synthetic cannabinoids

5-Fluoro-ADBICAThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 4 of 5SWGDRUG.org/monographs.htmLatest Revision: 1/7/2015

3.3 INFRARED SPECTROSCOPY (FTIR)

Insrument: FTIR with diamond ATR attachment (3 bounce)Scan Parameters: Number of scans: 32

Number of background scans: 32Resolution: 4 cm-1

Sample gain: 8Aperture: 150

FTIR ATR (Diamond, 3 Bounce): 5-fluoro-ADBICA Lot # 0451075-15

Wavenumber (cm-1)3500 3000 2500 2000 1500

%Tr

ansm

ittan

ce

70

75

80

85

3333333333333333333333333333333333333333333333333333333333333333333333333333333333333333

3186318631863186318631863186318631863186318631863186318631863186318631863186318631863186

2964296429642964296429642964296429642964296429642964296429642964296429642964296429642964

1672167216721672167216721672167216721672167216721672167216721672167216721672167216721672

1616161616161616161616161616161616161616161616161616161616161616161616161616161616161616 1537

153715371537153715371537153715371537153715371537153715371537153715371537153715371537

1506150615061506150615061506150615061506150615061506150615061506150615061506150615061506 1396

139613961396139613961396139613961396139613961396139613961396139613961396139613961396

136713671367136713671367136713671367136713671367136713671367136713671367136713671367136712301230123012301230123012301230123012301230123012301230123012301230123012301230123012301171117111711171117111711171117111711171117111711171117111711171117111711171117111711171

1122112211221122112211221122112211221122112211221122112211221122112211221122112211221122

1065106510651065106510651065106510651065106510651065106510651065106510651065106510651065

1012101210121012101210121012101210121012101210121012101210121012101210121012101210121012

802802802802802802802802802802802802802802802802802802802802802802 793

793793793793793793793793793793793793793793793793793793793793793

769769769769769769769769769769769769769769769769769769769769769769

746746746746746746746746746746746746746746746746746746746746746746

694694694694694694694694694694694694694694694694694694694694694694

613613613613613613613613613613613613613613613613613613613613613613582582582582582582582582582582582582582582582582582582582582582582

515515515515515515515515515515515515515515515515515515515515515515 501501501501501501501501501501501501501501501501501501501501501501 494494494494494494494494494494494494494494494494494494494494494494

438438438438438438438438438438438438438438438438438438438438438438 430

430430430430430430430430430430430430430430430430430430430430430

Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700

%Tr

ansm

ittan

ce

70

75

80

85 1672167216721672167216721672167216721672167216721672167216721672167216721672167216721672

1616161616161616161616161616161616161616161616161616161616161616161616161616161616161616

1574157415741574157415741574157415741574157415741574157415741574157415741574157415741574

1537153715371537153715371537153715371537153715371537153715371537153715371537153715371537

1506150615061506150615061506150615061506150615061506150615061506150615061506150615061506

1466146614661466146614661466146614661466146614661466146614661466146614661466146614661466

1414141414141414141414141414141414141414141414141414141414141414141414141414141414141414

1396139613961396139613961396139613961396139613961396139613961396139613961396139613961396

1367136713671367136713671367136713671367136713671367136713671367136713671367136713671367

1230123012301230123012301230123012301230123012301230123012301230123012301230123012301230

1171117111711171117111711171117111711171117111711171117111711171117111711171117111711171

1122112211221122112211221122112211221122112211221122112211221122112211221122112211221122

1065106510651065106510651065106510651065106510651065106510651065106510651065106510651065

1012101210121012101210121012101210121012101210121012101210121012101210121012101210121012

978978978978978978978978978978978978978978978978978978978978978978

937937937937937937937937937937937937937937937937937937937937937937

818818818818818818818818818818818818818818818818818818818818818818 802

802802802802802802802802802802802802802802802802802802802802802 793

793793793793793793793793793793793793793793793793793793793793793

769769769769769769769769769769769769769769769769769769769769769769

746746746746746746746746746746746746746746746746746746746746746746

694694694694694694694694694694694694694694694694694694694694694694

613613613613613613613613613613613613613613613613613613613613613613582582582582582582582582582582582582582582582582582582582582582582 557557557557557557557557557557557557557557557557557557557557557557 526

526526526526526526526526526526526526526526526526526526526526526515515515515515515515515515515515515515515515515515515515515515515 501501501501501501501501501501501501501501501501501501501501501501 494494494494494494494494494494494494494494494494494494494494494494

463463463463463463463463463463463463463463463463463463463463463463438438438438438438438438438438438438438438438438438438438438438438 430

430430430430430430430430430430430430430430430430430430430430430

Page 5: 5-Fluoro-ADBICA - SWGDRUG · 5-Fluoro-ADBICA The Drug Enforcement Administration's Special Testing and Research Laboratory ... ADB-FUBINACA and ADBICA, and five synthetic cannabinoids

5-Fluoro-ADBICAThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 5 of 5SWGDRUG.org/monographs.htmLatest Revision: 1/7/2015

http://forendex.southernforensic.org/index.php/detail/index/1262

4. ADDITIONAL RESOURCES

Forendex

Uchiyama N., et al. Two new-type cannabimimetic quinolinyl carboxylates, QUPIC and QUCHIC,two new cannabimimetic carboxamide derivatives, ADB-FUBINACA and ADBICA, and fivesynthetic cannabinoids detected with a thiophene derivative a-PVT and an opioid receptor agonistAH-7921 identified in illegal products. Forensic Toxicol (2013) 31:223-240.