THJ-018 - SWGDRUG · THJ-018 The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material.

THJ-018The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Latest Revision: 9/26/2016 Page 1 of 5SWGDRUG.org/monographs.htm

Form Chemical Formula Molecular Weight Melting Point (oC)

Base C23H22N2O 342.4 Not Determined

NN

CH3

O

1. GENERAL INFORMATION

IUPAC Name:

CAS#:

Synonyms:

Source:

Appearance:

UVmax(nm):

1-naphthalenyl(1-pentyl-1H-indazol-3-yl)methanone

1364933-55-0

JWH-018 indazole,

(naphthalenyl-1-yl)(1-pentyl-1H-indazol-3-yl)-methanone

DEA Reference Material Collection

White powder

Not determined

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA




3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~4 mg/mL in CDCl 3 containing TMS for 0 ppm reference and dimethylfumarate 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

1HNMR: THJ-018; Lot# 0453581-30; CDCl3; 400MHz

8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0

3422152111

8.47

1

8.350

1

8.00 7.95 7.90

21

7.55 7.50 7.45 7.40

15

4.425

2

1.95

2

1.35 1.30 1.25

4

0.875

3

CHCl3 dimethylfumarate TMS

H2O




3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY

Sample Preparation: Dilute analyte ~4 mg/mL in CHCl 3

Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: DB-5 MS (or equivalent); 15m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1.5 mL/minTemperatures: Injector: 280oC MSD transfer line: 280oC

MS Source: 250oC MS Quad: 150oCOven program:

1) 100oC initial temperature for 1.0 min2) Ramp to 280oC at 12 oC/min3) Hold final temperature for 9.0 min

Injection Parameters: Split Ratio = 25:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 150

Tune file: stune.u Acquisition mode: scanRetention Time: 16.19 min

EI Mass Spectrum: THJ-018; Lot# 0453581-30

m/z340320300280260240220200180160140120100806040

[x 1

06 ]In

tens

ity

0

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

1.0

1.1

342342342342342342342342342342342342342342342342342342342342342342

341341341341341341341341341341341341341341341341341341341341341341

286286286286286286286286286286286286286286286286286286286286286286

285285285285285285285285285285285285285285285285285285285285285285272272272272272272272272272272272272272272272272272272272272272272

271271271271271271271271271271271271271271271271271271271271271271

257257257257257257257257257257257257257257257257257257257257257257255255255255255255255255255255255255255255255255255255255255255255

244244244244244244244244244244244244244244244244244244244244244244243243243243243243243243243243243243243243243243243243243243243243242242242242242242242242242242242242242242242242242242242242242242

215215215215215215215215215215215215215215215215215215215215215215214214214214214214214214214214214214214214214214214214214214214214

213213213213213213213213213213213213213213213213213213213213213213187187187187187187187187187187187187187187187187187187187187187187157157157157157157157157157157157157157157157157157157157157157157

156156156156156156156156156156156156156156156156156156156156156156

155155155155155155155155155155155155155155155155155155155155155155

145145145145145145145145145145145145145145145145145145145145145145

131131131131131131131131131131131131131131131131131131131131131131128128128128128128128128128128128128128128128128128128128128128128

127127127127127127127127127127127127127127127127127127127127127127

103103103103103103103103103103103103103103103103103103103103103103102102102102102102102102102102102102102102102102102102102102102102101101101101101101101101101101101101101101101101101101101101101101

90909090909090909090909090909090909090909090

777777777777777777777777777777777777777777777676767676767676767676767676767676767676767675757575757575757575757575757575757575757575

41 43




3.3 INFRARED SPECTROSCOPY (FTIR)

Instrument: FTIR with diamond ATR attachment (1 bounce)Scan Parameters: Number of scans: 32

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

Sample gain: 1Aperture: 150

FTIR ATR (Diamond 1 Bounce): THJ-018; Lot# 0453581-30

Wavenumber (cm-1)4000 3500 3000 2500 2000 1500

%Tr

ansm

ittan

ce

50

55

60

65

70

75

80

3050305030503050305030503050305030503050305030503050305030503050305030503050305030503050 2955

295529552955295529552955295529552955295529552955295529552955295529552955295529552955

29162916291629162916291629162916291629162916291629162916291629162916291629162916291629162856285628562856285628562856285628562856285628562856285628562856285628562856285628562856

1650165016501650165016501650165016501650165016501650165016501650165016501650165016501650 1635

163516351635163516351635163516351635163516351635163516351635163516351635163516351635

1506150615061506150615061506150615061506150615061506150615061506150615061506150615061506

1469146914691469146914691469146914691469146914691469146914691469146914691469146914691469

1455145514551455145514551455145514551455145514551455145514551455145514551455145514551455

1389138913891389138913891389138913891389138913891389138913891389138913891389138913891389

1303130313031303130313031303130313031303130313031303130313031303130313031303130313031303

1225122512251225122512251225122512251225122512251225122512251225122512251225122512251225 1178

1178117811781178117811781178117811781178117811781178117811781178117811781178117811781101110111011101110111011101110111011101110111011101110111011101110111011101110111011101

1004100410041004100410041004100410041004100410041004100410041004100410041004100410041004

893893893893893893893893893893893893893893893893893893893893893893

791791791791791791791791791791791791791791791791791791791791791791

779779779779779779779779779779779779779779779779779779779779779779

749749749749749749749749749749749749749749749749749749749749749749

734734734734734734734734734734734734734734734734734734734734734734

646646646646646646646646646646646646646646646646646646646646646646

610610610610610610610610610610610610610610610610610610610610610610

511511511511511511511511511511511511511511511511511511511511511511

Wavenumber (cm-1)1760 1680 1600 1520 1440 1360 1280 1200 1120 1040 960 880 800 720

%Tr

ansm

ittan

ce

50

55

60

65

70

75

80

1650165016501650165016501650165016501650165016501650165016501650165016501650165016501650 1635

163516351635163516351635163516351635163516351635163516351635163516351635163516351635

1576157615761576157615761576157615761576157615761576157615761576157615761576157615761576 1506

150615061506150615061506150615061506150615061506150615061506150615061506150615061506

1469146914691469146914691469146914691469146914691469146914691469146914691469146914691469

1455145514551455145514551455145514551455145514551455145514551455145514551455145514551455

14141414141414141414141414141414141414141414141414141414141414141414141414141414141414141389138913891389138913891389138913891389138913891389138913891389138913891389138913891389

1367136713671367136713671367136713671367136713671367136713671367136713671367136713671367

1319131913191319131913191319131913191319131913191319131913191319131913191319131913191319

1303130313031303130313031303130313031303130313031303130313031303130313031303130313031303

1277127712771277127712771277127712771277127712771277127712771277127712771277127712771277

1225122512251225122512251225122512251225122512251225122512251225122512251225122512251225 1178

117811781178117811781178117811781178117811781178117811781178117811781178117811781178

1135113511351135113511351135113511351135113511351135113511351135113511351135113511351135

1101110111011101110111011101110111011101110111011101110111011101110111011101110111011101

1079107910791079107910791079107910791079107910791079107910791079107910791079107910791079

1059105910591059105910591059105910591059105910591059105910591059105910591059105910591059

1004100410041004100410041004100410041004100410041004100410041004100410041004100410041004

912912912912912912912912912912912912912912912912912912912912912912

893893893893893893893893893893893893893893893893893893893893893893

791791791791791791791791791791791791791791791791791791791791791791

779779779779779779779779779779779779779779779779779779779779779779

772772772772772772772772772772772772772772772772772772772772772772

749749749749749749749749749749749749749749749749749749749749749749

734734734734734734734734734734734734734734734734734734734734734734

669669669669669669669669669669669669669669669669669669669669669669

646646646646646646646646646646646646646646646646646646646646646646

633633633633633633633633633633633633633633633633633633633633633633

610610610610610610610610610610610610610610610610610610610610610610

570570570570570570570570570570570570570570570570570570570570570570

511511511511511511511511511511511511511511511511511511511511511511




https://en.wikipedia.org/wiki/THJ-018

4. ADDITIONAL RESOURCES

Wikipedia

THJ-018 - SWGDRUG · THJ-018 The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material.

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