1,6-Methano-1H-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-4,12-dimethyl-, (1-alpha,6-alpha,12S*)-, lactate
Basic information
- CAS
59168-75-1- Standard SMILES
CC(O)C(=O)O.C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@H]1CCN(C)C2- InChIKey
QIZJRLQDIVBKKK-SRVRJAHMSA-N- Molecular formula
- C18H27NO4
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.19400834
Names & identifiers
- Preferred name
- 1,6-Methano-1H-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-4,12-dimethyl-, (1-alpha,6-alpha,12S*)-, lactate
- IUPAC
- (1R,9S,14S)-11,14-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;2-hydroxypropanoic acid
Names & synonyms
1,6-Methano-1H-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-4,12-dimethyl-, (1-alpha,6-alpha,12S*)-, lactate59168-75-1RefChem:10535334,12-alpha-Dimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1H-4-benzazonine lactate
Database identifiers
- CAS
59168-75-1- PubChem CID
- 5745404
Properties
Computed structural properties
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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