Chemical Properties of Ibogaine (CAS 83-74-9)

Ibogaine

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InChI
InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3
InChI Key
HSIBGVUMFOSJPD-UHFFFAOYSA-N
Formula
C20H26N2O
SMILES
CCC1CC2CC3c4[nH]c5ccc(OC)cc5c4CCN(C2)C13
Molecular Weight1
310.43
CAS
83-74-9
Other Names
  • Ibogamine, 12-methoxy-
  • (-)-Ibogaine
  • 6,9-Methano-5H-pyrido[1',2':1,2]azepino[4,5-b]indole, ibogamine deriv.
  • Ibogain
  • 12-methoxyibogamine
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Physical Properties

Property Value Unit Source
log10WS -5.00 Crippen Calculated Property
logPoct/wat 3.455 Crippen Calculated Property
McVol 246.990 ml/mol McGowan Calculated Property
Inp [2872.00; 2915.00]   Show Hide
Inp 2895.00 NIST
Inp 2915.00 NIST
Inp 2908.00 NIST
Inp 2900.00 NIST
Inp 2872.00 NIST
Inp 2900.00 NIST
Inp 2895.00 NIST
Inp 2872.00 NIST

Similar Compounds

Yohimbine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to Ibogaine.

Sources

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