Basic information
- Standard SMILES
CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13- InChIKey
HSIBGVUMFOSJPD-NXWOVTFFSA-N- Molecular formula
- C20H26N2O
- Average molar mass
- 310.4 g/mol
Overview
See also: Ibogaine (annotation moved to).
Names & identifiers
- Preferred name
- 10-Methoxyibogamine
- IUPAC
- (1R,15S,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
Names & synonyms
10-MethoxyibogamineCHEMBL222287AC1L9C9BSCHEMBL21333266SCHEMBL31166257CHEBI:471972HSIBGVUMFOSJPD-NXWOVTFFSA-NBDBM50206577AKOS032948157(1R,15S,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene3,13-Diaza-17-ethyl-7-methoxypentacyclo[13.3.1.0<2,10>.0<4,9>.0<13,18>]nonadeca-2(10),4,6,8-tetraene
Database identifiers
- CAS
83-74-9- PubChem CID
- 442108
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
7 records
Linked notes
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