Ibogaline
(1R,15R,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
Also Known As: Ibogaline|12,13-Dimethoxyibogamine|Methoxyibogaine|13-METHOXYIBOGAINE|Ibogamine, 12,13-dimethoxy-|DECARBOMETHOXYCONOPHARYNGINE|12,13-Dimethoxy-5beta-ibogamine|J2.456.635H|(1R,15R,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene|1-(4-amino-3,5-dichlorophenyl)-2-(propylamino)ethanol|(1R,15R,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo(13.3.1.02,10.04,9.013,18)nonadeca-2(10),4,6,8-tetraene
| Molecular Formula | C21H28N2O2 |
|---|---|
| Molecular Weight | 340.2151 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.2151 |
| Monoisotopic Mass | 340.2151 |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 5443-38-9 |
|---|---|
| SMILES | CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)OC |
| InChIKey | VLOWUTVRYMTRJO-HHNICDRHSA-N |
Product Overview
Ibogaline (CAS 5443-38-9), with molecular formula C21H28N2O2 and molecular weight 340.2151 g/mol. IUPAC: (1R,15R,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene.
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