HuagongsheHuagongshe Chemistry Print Report · For research reference only
S-Venlafaxine-di-p-toluoyl-L-tartrate Salt
S-VENLAFAXINE-DI-P-TOLUOYL-L-TARTRATE SALT · 1-[(1S)-2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioate Salt · Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)-, compd. with 1-[(1S)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol (1:1)
Identifiers & Physical Properties
| CAS No. | 272788-02-0 |
|---|---|
| Molecular formula | C37H45NO10 |
| Average molar mass | 663.8 g/mol |
| Monoisotopic mass | 663.30434663 g/mol |
| SMILES | COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1.Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 |
| InChIKey | JFYLKWUYWDBONP-ZAOWXVKASA-N |
| PubChem CID | 13712523 |
| DTXSID | DTXSID90547414 |
Chemical & Physical Properties
| Topological polar surface area | 160 |
|---|---|
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 14 |
| Heavy atoms | 48 |
| Formal charge | 0 |
| Complexity | 812 |
| Melting point | 102-103°C |
Applications & Uses
Uses
(+)-Venlafaxine derivative as inhibitor of neuronal monoamine reuptake.