Basic information
- Standard SMILES
CC[C@@H]1CC2C[C@@H]3c4[nH]c5ccc(O)cc5c4CCN(C2)C13- InChIKey
RAUCDOKTMDOIPF-NYRFGNLRSA-N- Molecular formula
- C19H24N2O
- Average molar mass
- 296.4 g/mol
Names & identifiers
- Preferred name
- CID 44359441
- IUPAC
- (1S,17R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
Names & synonyms
CHEMBL343956SCHEMBL29363147RAUCDOKTMDOIPF-NYRFGNLRSA-NBDBM5006781417-ethyl-(1R,17S)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol (noribogaine)
Database identifiers
- PubChem CID
- 44359441
- ChEMBL
CHEMBL343956
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Related reactions
3 records
Compound notes
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