2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-beta-dimethyl-6-ethyl-, hydrochloride
Basic information
- CAS
56711-09-2- Standard SMILES
CC[C@@]12CCN(C)[C@@H](Cc3ccc(O)cc31)C2C.Cl- InChIKey
DXEHSRSNFIZNLF-BGPBMBKKSA-N- Molecular formula
- C16H24ClNO
- Average molar mass
- 281.82 g/mol
- Monoisotopic mass
- 281.1546421
Names & identifiers
- Preferred name
- 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-beta-dimethyl-6-ethyl-, hydrochloride
- IUPAC
- (1S,9S)-1-ethyl-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
Names & synonyms
56711-09-22,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-beta-dimethyl-6-ethyl-, hydrochlorideRefChem:1060301beta-2'-Hydroxy-6-ethyl-9-methyl-6,7-benzomorphan hydrochlorideDTXSID00972157(2S,6S)-6-Ethyl-3,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol--hydrogen chloride (1/1)6-Ethyl-3,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
56711-09-2- PubChem CID
- 92509
- DTXSID
DTXSID00972157
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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