Ibogaine - SWGDRUGIbogaine The Drug Enforcement Administration's Special Testing and Research...
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Ibogaine 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: 2/2/2015 NH O C H 3 N CH 3 1. GENERAL INFORMATION IUPAC Name: N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide CAS#: Not Available Synonyms: N/A Source: DEA Reference Material Collection Appearance: Beige powder (HCl) 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 26 N 2 O 309 Not Determined HCl C 20 H 26 N 2 O . HCl 346 Not Determined
Transcript of Ibogaine - SWGDRUGIbogaine The Drug Enforcement Administration's Special Testing and Research...
IbogaineThe 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: 2/2/2015
NHOCH3
NCH3
1. GENERAL INFORMATION
IUPAC Name: N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CAS#: Not Available
Synonyms: N/A
Source: DEA Reference Material Collection
Appearance: Beige powder (HCl)
UVmax(nm): Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C20H26N2O 309 Not Determined
HCl C20H26N2O. HCl 346 Not Determined
IbogaineThe 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: 2/2/2015
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~25 mg/mL in CD3OD containing TMS for 0 ppm reference and maleic 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 seconds1H NMR: Ibogaine HCl Lot # 080-254A; CD3OD; 400MHz
8 7 6 5 4 3 2 1 0
0
1
2
3
4
5
6
7
8
9
10
313412111
Maleic acid
from CD3OD
TMS
from CD3OD
1.050
3
2.25 2.00 1.75 1.50
134
3.75 3.50 3.25
12
from CD3OD
7.00
0
0.5
1.0
1.5
111
IbogaineThe 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: 2/2/2015
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~5 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: 280oCMS Source: 230oCMS Quad: 150oCOven program:
1) 100oC initial temperature for 1.0 min2) Ramp to 300oC at 12 oC/min3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu
Threshold: 100Tune file: stune.uAcquisition mode: scan
Retention Time: 19.602 minEI Mass Spectrum: Ibogaine HCl Lot # 080-254A
m/z30025020015010050
[x 1
06 ]In
tens
ity
0.5
1.0
1.5
310
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21219
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819
8
186
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949494 9494949494 9494949494 9494949494 94949494
777777 7777777777 7777777777 7777777777 77777777676767 6767676767 6767676767 6767676767 67676767555555 5555555555 5555555555 5555555555 55555555
414141 4141414141 4141414141 4141414141 41414141
EI+
IbogaineThe 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: 2/2/2015
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): Ibogaine HCl Lot # 080-254A
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
48
56
64
72
3169316931693169316931693169316931693169316931693169316931693169316931693169316931693169
2956295629562956295629562956295629562956295629562956295629562956295629562956295629562956
2575257525752575257525752575257525752575257525752575257525752575257525752575257525752575
1591159115911591159115911591159115911591159115911591159115911591159115911591159115911591
14871487148714871487148714871487148714871487148714871487148714871487148714871487148714871456145614561456145614561456145614561456145614561456145614561456145614561456145614561456
1416141614161416141614161416141614161416141614161416141614161416141614161416141614161416
13361336133613361336133613361336133613361336133613361336133613361336133613361336133613361302130213021302130213021302130213021302130213021302130213021302130213021302130213021302
12131213121312131213121312131213121312131213121312131213121312131213121312131213121312131144114411441144114411441144114411441144114411441144114411441144114411441144114411441144
1113111311131113111311131113111311131113111311131113111311131113111311131113111311131113
1020102010201020102010201020102010201020102010201020102010201020102010201020102010201020
924924924924924924924924924924924924924924924924924924924924924924
827827827827827827827827827827827827827827827827827827827827827827
808808808808808808808808808808808808808808808808808808808808808808
795795795795795795795795795795795795795795795795795795795795795795
712712712712712712712712712712712712712712712712712712712712712712
634634634634634634634634634634634634634634634634634634634634634634
602602602602602602602602602602602602602602602602602602602602602602 579579579579579579579579579579579579579579579579579579579579579579
552552552552552552552552552552552552552552552552552552552552552552 482
482482482482482482482482482482482482482482482482482482482482482
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
48
56
64
72
1591159115911591159115911591159115911591159115911591159115911591159115911591159115911591
14871487148714871487148714871487148714871487148714871487148714871487148714871487148714871456145614561456145614561456145614561456145614561456145614561456145614561456145614561456
1416141614161416141614161416141614161416141614161416141614161416141614161416141614161416
13361336133613361336133613361336133613361336133613361336133613361336133613361336133613361302130213021302130213021302130213021302130213021302130213021302130213021302130213021302
1213121312131213121312131213121312131213121312131213121312131213121312131213121312131213
1180118011801180118011801180118011801180118011801180118011801180118011801180118011801180
1144114411441144114411441144114411441144114411441144114411441144114411441144114411441144
1113111311131113111311131113111311131113111311131113111311131113111311131113111311131113
1101110111011101110111011101110111011101110111011101110111011101110111011101110111011101
1020102010201020102010201020102010201020102010201020102010201020102010201020102010201020
924924924924924924924924924924924924924924924924924924924924924924
827827827827827827827827827827827827827827827827827827827827827827
808808808808808808808808808808808808808808808808808808808808808808
795795795795795795795795795795795795795795795795795795795795795795
712712712712712712712712712712712712712712712712712712712712712712
634634634634634634634634634634634634634634634634634634634634634634
602602602602602602602602602602602602602602602602602602602602602602 579579579579579579579579579579579579579579579579579579579579579579
552552552552552552552552552552552552552552552552552552552552552552499499499499499499499499499499499499499499499499499499499499499499 482
482482482482482482482482482482482482482482482482482482482482482
438438438438438438438438438438438438438438438438438438438438438438
IbogaineThe 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: 2/2/2015
http://forendex.southernforensic.org/index.php/detail/index
http://en.wikipedia.org/wiki
4. ADDITIONAL RESOURCES
Forendex
Wikipedia
