Quinine salicylate
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-hydroxybenzoic acid
Also Known As: Quinine Salicylate|Chininsalicylat|Chininum salicylicum|Quinine, monosalicylate|quinine, salicylate|Quinine salicylate [NF]|QUININESALICYLATE|Quinine monosalicylate (salt)|EINECS 212-027-7|CHININUM SALICYLICUM [HPUS]|QUININE SALICYLATE [WHO-DD]|(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-hydroxybenzoic acid|2-Hydroxybenzoic acid--6'-methoxycinchonan-9-ol (1/1)|2-hydroxybenzoic acid-(8|A,9r)-6'-methoxycinchonan-9-ol(1:1)|2-Hydroxybenzoic acid--(1xi,9R)-6'-methoxy-8alpha-cinchonan-9-ol (1/1)|CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, 2-HYDROXYBENZOATE (1:1)|Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, mono(2-hydroxybenzoate) (salt)|CINCHONAN-9-OL, 6'-METHOXY-, (8alpha,9R)-, 2-HYDROXYBENZOATE (1:1)|(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; 2-hydroxybenzoic acid|(R)-[(4S,5R,7S)-5-Ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol; 2-hydroxybenzoic acid|212-027-7
| Molecular Formula | C27H30N2O5 |
|---|---|
| Molecular Weight | 462.21548 g/mol |
| LogP | 4.26 |
| Topological Polar Surface Area | 103.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.21548 |
| Heavy Atoms | 34 |
| Complexity | 1180.6 |
Chemical Identifiers
| CAS Number | 750-90-3 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.C1=CC=C(C(=C1)C(=O)O)O |
Product Overview
Quinine salicylate (CAS 750-90-3), with molecular formula C27H30N2O5 and molecular weight 462.21548 g/mol. IUPAC: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-hydroxybenzoic acid.
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