AM-2201 Indazole - SWGDRUG Indazole.pdfAM-2201 Indazole The Drug Enforcement Administration's...
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Page 1 of 5 SWGDRUG.org/monographs.htm Latest Revision: 05/06/2014 AM-2201 Indazole The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 1. GENERAL INFORMATION IUPAC Name: CAS#: Synonyms: Source: Appearance: UV max (nm): [1-(5-fluoropentyl)-1H-indazol-3-yl](naphthalen-1-yl)methanone N/A THJ-2201, Fluoropentyl-JWH-018 indazole, 5-Fluoro-THJ-018 DEA Reference Material Collection White powder Not Determined 2. CHEMICAL AND PHYSICAL DATA 2.1 CHEMICAL DATA Form Chemical Formula Molecular Weight Melting Point ( o C) Base C 23 H 21 FN 2 O 360 79.6 N N O F
Transcript of AM-2201 Indazole - SWGDRUG Indazole.pdfAM-2201 Indazole The Drug Enforcement Administration's...
Page 1 of 5SWGDRUG.org/monographs.htmLatest Revision: 05/06/2014
AM-2201 IndazoleThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
1. GENERAL INFORMATION
IUPAC Name:
CAS#:
Synonyms:
Source:
Appearance:
UVmax(nm):
[1-(5-fluoropentyl)-1H-indazol-3-yl](naphthalen-1-yl)methanone
N/A
THJ-2201, Fluoropentyl-JWH-018 indazole, 5-Fluoro-THJ-018
DEA Reference Material Collection
White powder
Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C23H21FN2O 360 79.6
NN
O
F
Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 05/06/2014
AM-2201 IndazoleThe 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 ~7 mg/mL in CDCl3 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 seconds1H NMR: AM-2201 Indazole; Lot 0454101-23; CDCl3; 400MHz
8 7 6 5 4 3 2 1 0
0
1
2
3
4
5
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7
8
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2221362111
*
CDCl3 TMSDimethylfumarate
8.45 8.35
11
4.45 4.35
13
1.75 1.50
222
*
8.00 7.90
21
7.5 7.4
6
Dimethylfumarate
* Impurity
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AM-2201 IndazoleThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
EI Mass Spectrum: AM2201 Indazole; Lot 0454101-23
m/z35030025020015010050
[x 1
05 ]In
tens
ity
1
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360
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31128
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777777 7777777777 7777777777 7777777777 77777777414141 4141414141 4141414141 4141414141 41414141
EI+
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~4 mg/mL in chloroform.
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 30.0 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: 18.218min
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AM-2201 IndazoleThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
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): AM-2201 Indazole, Lot 0454101-23
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
20
30
40
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2955295529552955295529552955295529552955295529552955295529552955295529552955295529552955
1643164316431643164316431643164316431643164316431643164316431643164316431643164316431643
1495149514951495149514951495149514951495149514951495149514951495149514951495149514951495
1466146614661466146614661466146614661466146614661466146614661466146614661466146614661466
1458145814581458145814581458145814581458145814581458145814581458145814581458145814581458 1365
1365136513651365136513651365136513651365136513651365136513651365136513651365136513651315131513151315131513151315131513151315131513151315131513151315131513151315131513151315
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1047104710471047104710471047104710471047104710471047104710471047104710471047104710471047
1009100910091009100910091009100910091009100910091009100910091009100910091009100910091009
930930930930930930930930930930930930930930930930930930930930930930
891891891891891891891891891891891891891891891891891891891891891891
818818818818818818818818818818818818818818818818818818818818818818
793793793793793793793793793793793793793793793793793793793793793793
750750750750750750750750750750750750750750750750750750750750750750
725725725725725725725725725725725725725725725725725725725725725725
650650650650650650650650650650650650650650650650650650650650650650
586586586586586586586586586586586586586586586586586586586586586586
515515515515515515515515515515515515515515515515515515515515515515
451451451451451451451451451451451451451451451451451451451451451451
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
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ce
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1643164316431643164316431643164316431643164316431643164316431643164316431643164316431643
1495149514951495149514951495149514951495149514951495149514951495149514951495149514951495
1466146614661466146614661466146614661466146614661466146614661466146614661466146614661466
1458145814581458145814581458145814581458145814581458145814581458145814581458145814581458
1448144814481448144814481448144814481448144814481448144814481448144814481448144814481448
1365136513651365136513651365136513651365136513651365136513651365136513651365136513651365
1315131513151315131513151315131513151315131513151315131513151315131513151315131513151315
1234123412341234123412341234123412341234123412341234123412341234123412341234123412341234
116511651165116511651165116511651165116511651165116511651165116511651165116511651165116511381138113811381138113811381138113811381138113811381138113811381138113811381138113811381093109310931093109310931093109310931093109310931093109310931093109310931093109310931093
1047104710471047104710471047104710471047104710471047104710471047104710471047104710471047
1009100910091009100910091009100910091009100910091009100910091009100910091009100910091009
930930930930930930930930930930930930930930930930930930930930930930
891891891891891891891891891891891891891891891891891891891891891891
818818818818818818818818818818818818818818818818818818818818818818
793793793793793793793793793793793793793793793793793793793793793793
750750750750750750750750750750750750750750750750750750750750750750
725725725725725725725725725725725725725725725725725725725725725725
669669669669669669669669669669669669669669669669669669669669669669 650
650650650650650650650650650650650650650650650650650650650650650
642642642642642642642642642642642642642642642642642642642642642642
598598598598598598598598598598598598598598598598598598598598598598586586586586586586586586586586586586586586586586586586586586586586
515515515515515515515515515515515515515515515515515515515515515515
451451451451451451451451451451451451451451451451451451451451451451
434434434434434434434434434434434434434434434434434434434434434434
413413413413413413413413413413413413413413413413413413413413413413
Page 5 of 5SWGDRUG.org/monographs.htmLatest Revision: 05/06/2014
AM-2201 IndazoleThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
4. ADDITIONAL RESOURCES
No literature available as of 05/2014
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