Optochinidin
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid
Also Known As: Optochinidin, Kinilentin, Quinidine bisulfate, Kinidin durules, Biquin durules, Chinidin duriles, Kinidin duretter, Kinidin-duretter, Chinidin VUFB, Quinidine hydrogen sulphate, EINECS 212-020-9, Quinidine, sulfate (1:1) (salt), (9S)-6'-Methoxycinchonan-9-ol sulfate (1:1) (salt), Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (1:1) (salt), (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid
| Molecular Formula | C20H26N2O6S |
|---|---|
| Molecular Weight | 422.15115 g/mol |
| LogP | 2.52 |
| Topological Polar Surface Area | 120.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.15115 |
| Heavy Atoms | 29 |
| Complexity | 972 |
Chemical Identifiers
| CAS Number | 747-45-5 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O |
Product Overview
Optochinidin (CAS 747-45-5), with molecular formula C20H26N2O6S and molecular weight 422.15115 g/mol. IUPAC: (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid.
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