Chemical Component Summary | |
|---|---|
| Name | (11R,12S)- Mefloquine |
| Identifiers | (~{R})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol |
| Formula | C17 H16 F6 N2 O |
| Molecular Weight | 378.312 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O |
| InChI | InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 |
| InChIKey | XEEQGYMUWCZPDN-SWLSCSKDSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 42 |
| Chiral Atom Count | 2 |
| Bond Count | 44 |
| Aromatic Bond Count | 11 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL411329 |
| PubChem | 456309 |
| ChEMBL | CHEMBL411329 |
| ChEBI | CHEBI:63684 |
| CCDC/CSD | HAJSAO01, QIYRIB |
