Basic information
- CAS
3885-19-6- Standard SMILES
CC[C@@H]1C[C@H]2CC3c4c(c5cc(OC)ccc5n4C)CCN(C2)C31- InChIKey
GZIPIZQXYGKJCX-RSSDRTCTSA-N- Molecular formula
- C21H28N2O
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.22016352
Names & identifiers
- Preferred name
- (15S,17R)-17-ethyl-7-methoxy-3-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
- IUPAC
- (15S,17R)-17-ethyl-7-methoxy-3-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
Names & synonyms
12-Methoxy-16-methylibogamineNSC2742743885-19-6DTXSID90959634NSC-274274(5xi,6xi)-12-Methoxy-16-methyl-2alpha,4alpha,18xi-ibogamine
Database identifiers
- CAS
3885-19-6- PubChem CID
- 321671
- DTXSID
DTXSID90959634
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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