Basic information
- CAS
7595-54-2- Standard SMILES
COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1CCC(=O)C3C- InChIKey
KSWTVOIQZBRWIZ-FZJJXPKWSA-N- Molecular formula
- C19H25NO3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.18344366
Names & identifiers
- Preferred name
- (1S,9S,10S)-3-hydroxy-4-methoxy-14,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
- IUPAC
- (1S,9S,10S)-3-hydroxy-4-methoxy-14,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Names & synonyms
NSC4043667595-54-2NSC-404366
Database identifiers
- CAS
7595-54-2- PubChem CID
- 5385396
- DTXSID
DTXSID90419687
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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