Basic information
- CAS
36292-69-0- Standard SMILES
CC1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1- InChIKey
HQBZLVPZOGIAIQ-ULHBIWDBSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Overview
See also: Ketazocine (annotation moved to).
Names & identifiers
- Preferred name
- CID 71426
- IUPAC
- (1R,9S)-10-(cyclopropylmethyl)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
Names & synonyms
36292-69-0SCHEMBL16644285SCHEMBL29543590(1R,9S)-10-(Cyclopropylmethyl)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-oneAKOS025401714NS00122026(2S,6R)-3-(cyclopropylmethyl)-8-hydroxy-6,11-dimethyl-3,4,5,6-tetrahydro-2,6-methano-3-benzazocin-1(2H)-one
Database identifiers
- CAS
36292-69-0- PubChem CID
- 71426
- DTXSID
DTXSID10897529
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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