RefChem:1053533
(1R,9S,14S)-11,14-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;2-hydroxypropanoic acid
Also Known As: 4,12-alpha-Dimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1H-4-benzazonine lactate|1,6-Methano-1H-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-4,12-dimethyl-, (1-alpha,6-alpha,12S*)-, lactate|4,12-beta-Dimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1H-4-benzazonine lactate
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.194 g/mol |
| LogP | 2.0715 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.194 |
| Monoisotopic Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 557.95264 |
Chemical Identifiers
| CAS Number | 59168-75-1 |
|---|---|
| SMILES | C[C@H]1[C@H]2CCN(C[C@H]1CC3=C2C=C(C=C3)O)C.CC(C(=O)O)O |
Product Overview
RefChem:1053533 (CAS 59168-75-1), with molecular formula C18H27NO4 and molecular weight 321.194 g/mol. 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.
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