Basic information
- CAS
5896-05-9- Standard SMILES
O=C1CC2C(CCN3CCC4CCCC2C43)CO1- InChIKey
FJFFOHJVBFPNGN-UHFFFAOYSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.17287898
Names & identifiers
- Preferred name
- Apo-beta-erythroidine, octahydro-
- IUPAC
- 5-oxa-10-azatetracyclo[8.6.1.02,7.013,17]heptadecan-4-one
Names & synonyms
Octahydro-apo-beta-erythroidineBRN 0201753APO-beta-ERYTHROIDINE, OCTAHYDRO-5896-05-911H-Pyrano(3,4-d)pyrrolo(3,2,1-jk)(1)benzazepin-11-one, tetradecahydro-4-27-00-02645 (Beilstein Handbook Reference)RefChem:31992811H-Pyrano(3,4-d)pyrrolo(3,2,1-jk)(1)benzazepin-11-one, tetradecahydro-(9CI)DTXSID20974456Tetradecahydro-11H-pyrano[4',3':4,5]azepino[3,2,1-hi]indol-11-one
Database identifiers
- CAS
5896-05-9- PubChem CID
- 22185
- DTXSID
DTXSID20974456
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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