quinine sulfate
bis((R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid
Also Known As: quinine sulfate, Quinine sulphate, Coco-Quinine, Legatrin, Aflukin, Quine, Quinine bisulfate, Quinine, sulfate, Quinine sulfate anhydrous, Quinine hydrogen sulfate, Quinine sulfate (VAN), Quinine, sulfate (2:1) (salt), EINECS 212-359-2, Q 1250, Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (2:1) (salt)
| Molecular Formula | C40H50N4O8S |
|---|---|
| Molecular Weight | 746.33496 g/mol |
| LogP | 5.69 |
| Topological Polar Surface Area | 165.78 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 746.33496 |
| Heavy Atoms | 53 |
| Complexity | 1891 |
Chemical Identifiers
| CAS Number | 804-63-7 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O |
Product Overview
quinine sulfate (CAS 804-63-7), with molecular formula C40H50N4O8S and molecular weight 746.33496 g/mol. IUPAC: bis((R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid.
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