Prestwick_589
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrate;hydrochloride
Also Known As: Prestwick_589|Quinidine hydrochloride monohydrate|Quinidine, monohydrochloride, monohydrate|Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, monohydrate, (9S)-|Cinchonan-9-ol, 6'-methoxy-, hydrochloride, hydrate (1:1:1), (9S)-|(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol hydrate hydrochloride
| Molecular Formula | C20H27ClN2O3 |
|---|---|
| Molecular Weight | 378.17102 g/mol |
| LogP | 2.7703 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.17102 |
| Monoisotopic Mass | 378.17102 |
| Heavy Atoms | 26 |
| Complexity | 769.80475 |
Chemical Identifiers
| CAS Number | 6151-40-2 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.O.Cl |
Product Overview
Prestwick_589 (CAS 6151-40-2), with molecular formula C20H27ClN2O3 and molecular weight 378.17102 g/mol. IUPAC: (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrate;hydrochloride.
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