(17R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraen-10-ol
Basic information
- CAS
61431-41-2- Standard SMILES
CC[C@@H]1CC2CC3C4=Nc5ccccc5C4(O)CCN(C2)C31- InChIKey
UQZXZTAEARYAED-BGDHBEODSA-N- Molecular formula
- C19H24N2O
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.18886339
Names & identifiers
- Preferred name
- (17R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraen-10-ol
- IUPAC
- (17R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraen-10-ol
Names & synonyms
NSC28865361431-41-2DTXSID80314798NSC-288653IBOGAMINE HYDROXY-INDOLENINE B640243K402(6xi,18xi)-4alpha,5xi-10,16-Didehydro-9,10-dihydroibogamin-9-ol
Database identifiers
- CAS
61431-41-2- PubChem CID
- 324202
- DTXSID
DTXSID80314798
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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