Basic information
- CAS
14578-60-0- Standard SMILES
CC1C2Cc3ccc(O)cc3C1(c1ccccc1)CCN2C.Cl- InChIKey
MRWZEJOGQLUAKS-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1546421
Names & identifiers
- Preferred name
- 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-dimethyl-6-phenyl-, hydrochloride, (+-)-
- IUPAC
- 10,13-dimethyl-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
Names & synonyms
14578-60-02,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-dimethyl-6-phenyl-, hydrochloride, (+-)-DTXSID60932691dl-1,2,3,4,5,6-Hexahydro-3,11-beta-dimethyl-6-phenyl-2,6-methano-3-benzacocin-8-ol HCl3,11-Dimethyl-6-phenyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
14578-60-0- PubChem CID
- 30503
- DTXSID
DTXSID60932691
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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