Quinine

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For Research Use Only | Not For Clinical Use
CATAPS130950
CAS130-95-0
Structure
MDL NumberMFCD00198096
SynonymsQuinine (8CI), (R)-(-)-Quinine, (8α,9R)-6'-Methoxycinchonan-9-ol, 6'-Methoxycinchonidine, (-)-Quinine, NSC 192949,Cinchonan-9-ol, 6'-methoxy-, (8α,9R)-, (8S,9R)-Quinine, Qualaquin, WR297608
IUPAC Name(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Molecular Weight324.42
Molecular FormulaC20H24N2O2
EC Number205-003-2
Canonical SMILESCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
InChIInChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
InChI KeyLOUPRKONTZGTKE-WZBLMQSHSA-N
REAXYS Number91867
Accurate Mass324.1838
FormatNeat
ShippingRoom Temperature
Storage Conditions+20°C
SubcategoryPharmaceutical and veterinary compounds and metabolites
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