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Quinine · CAS 130-95-0 · C20H24N2O2. UNII HMS3369K22.
| CAS Registry Number | 130-95-0 |
|---|---|
| PubChem CID | 1065 |
| Molecular formula | C20H24N2O2 |
| IUPAC name | (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol |
| UNII (FDA) | HMS3369K22 |
| Molecular Weight | 324.4 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 324.183778013 |
| Monoisotopic Mass | 324.183778013 |
| Topological Polar Surface Area | 45.6 |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Reported hazard statements | H302, H317 |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-; (5-ethenyl-1-azabicyclo(2.2.2)octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; RefChem:577168; Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-; 6'-Methoxycinchonan-9-ol; 936694-43-8; Quinine anhydrous; (6-methoxy-4-quinolyl)(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methanol; {5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methanol; Quinidine anhydrous; (1R)((2S,4S,5R)-5-vinylquinuclidin-2-yl)(6-methoxy(4-quinolyl))methan-1-ol; [5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol; 9-epi-Quinine; (+)-Chinidin; SCHEMBL25528
CAS 130-95-0; molecular formula C20H24N2O2; molecular weight — g/mol.
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol, Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, (5-ethenyl-1-azabicyclo(2.2.2)octan-2-yl)-(6-methoxyquinolin-4-yl)methanol, RefChem:577168, Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, 6'-Methoxycinchonan-9-ol.
Hazard statements reported: H302, H317.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.