AB-PINACA

The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. H 3C H 3C O O NH 2 NH

N N CH 3 1. GENERAL INFORMATION IUPAC Name: CAS#: Synonyms: Source: Appearance: UVmax (nm): N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide 1445752-09-9 N/A DEA Reference Material Collection White powder (HCl) Not Determined

2. CHEMICAL AND PHYSICAL DATA 2.1 CHEMICAL DATA

Form Base

Chemical Formula C18H26N4O2

Molecular Weight 330

Melting Point ( oC) 121.8

Latest Revision: 12/16/2013

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AB-PINACA
The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 3. QUALITATIVE DATA 3.1 NUCLEAR MAGNETIC RESONANCE Sample Preparation: Dilute analyte to ~10 mg/mL inCD3OD containing TMS for 0 ppm reference and maleic acid as quantitative internal standard. Instrument: Parameters: 400 MHz NMR spectrometer Spectral width: at least containing -3 ppm through 13 ppm Pulse angle: 90o Delay between pulses: 45 seconds
1

H NMR: AB-PINACA Lot # RM-130816-01; CD3OD; 400MHz

from CD3OD

10 9 8 7 6 5 4 3 2 1 0 1 8 1 1 1 7 6 5 3 4 3 1 2 2 4 6 3 1 0
TMS from CD3OD Maleic Acid

1.0 0.5 0 1 8.00 7.75 1 1 7.50 1 3 4.50 4.45 1 2 2.00 1.75 1.50 4 6 3 1.0 0.9

Latest Revision: 12/16/2013

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AB-PINACA
The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY Sample Preparation: Dilute analyte ~4 mg/mL in methanol. Instrument: Column: Carrier Gas: Temperatures: Agilent gas chromatograph operated in split mode with MS detector DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 m Helium at 1 mL/min Injector: 280oC MSD transfer line: 280oC MS Source: 230 oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 300 oC at 12 oC/min 3) Hold final temperature for 9.0 min Split Ratio = 20:1, 1 L injected Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scan 17.220 min EI Mass Spectrum: AB-PINACA Lot # RM-130816-01
215 145

Injection Parameters: MS Parameters:

Retention Time:
5 Intensity [x 10 ] 5

2 43 90 103

171

185

EI+ 50 100 150

200

250

271

300

330 m/z

Latest Revision: 12/16/2013

286

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AB-PINACA
The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 3.3 INFRARED SPECTROSCOPY (FTIR) Insrument: Scan Parameters: FTIR with diamond ATR attachment (3 bounce) Number of scans: 32 Number of background scans: 32 Resolution: 4 cm-1 Sample gain: 8 Aperture: 150 FTIR ATR (Diamond, 3 Bounce): AB-PINACA Lot # RM-130816-01
%Transmittance

671 777 806 785 1003 1165 1086 1182 1138 1228 1242 1317 1373 1398 1471 1491

2872 2929 2958

3178

1574

3317 3371

436

72 64 56

521 567

1682 1660

602 623 654

1533 1632

754

3500 %Transmittance

3000

2500

2000

1500

Wavenumber (cm-1)

1003

424 436 449 474

806

1574

1138

1443

1086

1277 1308 1360 1317 1373

544

72 1471 64 56 1682 1700 1660 1632 1600 1533 1500

777 785

1165 1182 1228

725

567

521

671

Latest Revision: 12/16/2013

1491

1400

1398 1300

602 623 654 754

1200

1100

1000

900

800

700 Wavenumber (cm-1)

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AB-PINACA
The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 4. ADDITIONAL RESOURCES Forendex http://forendex.southernforensic.org/index.php/detail/index/1234 Wikipedia http://en.wikipedia.org/wiki/AB-PINACA Uchiyama, N. et al; New cannabimimetic indazole derivatives, N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide (AB-PINACA) and N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (AB-FUBINACA) identified as designer drugs in illegal products. Forensic Toxicol (2013) 31:93-100.

Latest Revision: 12/16/2013

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