AB-PINACA Monograph - · PDF fileAB-PINACA The Drug Enforcement Administration's Special...

AB-PINACAThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013

Form Chemical Formula Molecular Weight Melting Point (oC)

Base C18H26N4O2 330 121.8

N

N

CH3

NH

NH2

CH3

CH3

O

O

1. GENERAL INFORMATION

IUPAC Name: N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide

CAS#: 1445752-09-9

Synonyms: N/A

Source: DEA Reference Material Collection

Appearance: White powder (HCl)

UVmax(nm): Not Determined

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA




3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~10 mg/mL inCD3OD containing TMS for 0 ppm reference andmaleic acid 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 seconds

8 7 6 5 4 3 2 1 0

0

1

2

3

4

5

6

7

8

9

10

3642131111

TMS

Maleic Acid

from CD3OD

from CD3OD

1H NMR: AB-PINACA Lot # RM-130816-01; CD3OD; 400MHz

4.50 4.45

3

8.00 7.75 7.50

0

0.5

1.0

1111

2.00 1.75 1.50

421

1.0 0.9

36



of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013m/z30025020015010050

[x 1

05 ]In

tens

ity

1

2

3

4

533

0

286

271

215

185

171

145

103

9043

EI+

EI Mass Spectrum: AB-PINACA Lot # RM-130816-01

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 9.0 minInjection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scanRetention Time: 17.220 min




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

Wavenumber (cm-1)3500 3000 2500 2000 1500

%Tr

ansm

ittan

ce

56

64

72

33713317

3178

29582929

2872

16821660

16321574

15331491

14711398

13731317

12421228

11821165

11381086

1003 806785 777

754671

654623602

567 521436

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

%Tr

ansm

ittan

ce

56

64

72

16821660

1632

15741533

14911471

14431398

13731360

13171308

12771228

11821165

1138

1086

1003 806785 777

754725 671

654623602

567544

521474 449 436

424

FTIR ATR (Diamond, 3 Bounce): AB-PINACA Lot # RM-130816-01




http://forendex.southernforensic.org/index.php/detail/index/1234

http://en.wikipedia.org/wiki/AB-PINACA

4. ADDITIONAL RESOURCES

Forendex

Wikipedia

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) andN-(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.

AB-PINACA Monograph - · PDF fileAB-PINACA The Drug Enforcement Administration's Special...

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