Quinine sulfate (USP) structure

Quinine sulfate (USP)

bis((R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid;dihydrate

Also Known As: quinine sulfate|Biquinate|Qualaquin|Quinamm|Mixture Name|QUININE SULFATE DIHYDRATE|Chininum sulphuricum|Quinine sulfate hydrate|Coco-quinine (TN)|Quinine sulfate (USP)|Quinine hydrogen sulfate|Quinine sulfate [JAN]|RefChem:1097799|Quinine Sulfate [USAN:JAN]|AC1L1V3C|FEMA No. 2977|Quinine sulfate hydrate (JP17)|Quinine, sulfate (2:1), dihydrate|ZHNFLHYOFXQIOW-LRXYSQQVSA-N|Quinine, sulfate(2:1), dihydrate|DRG-0052|Quinine sulfate (2:1) (salt) dihydrate|Quinine sulfate dihydrate [USAN:JAN]|BIS(QUININE) SULFURIC ACID DIHYDRATE|C20H24N2O2.1/2H2O4S.2H2O|D02262|C20-H24-N2-O2.1/2H2-O4-S.2H2-O|6'-Methoxycinchonan-9-ol sulfate dihydrate, (8alpha,9R)-, (2:1) (salt)|Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (2:1) (salt), dihydrate|(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate|Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate (2:1) (salt), dihydrate|Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate(2:1) (salt), dihydrate|(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate

CAS: 6119-70-6
Molecular Formula C40H54N4O10S
Molecular Weight 782.3561 g/mol
LogP 4.04
Topological Polar Surface Area 228.78 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
Rotatable Bonds 8
Exact Mass 782.3561
Heavy Atoms 55
Complexity 1896.8

Chemical Identifiers

CAS Number 6119-70-6
SMILES COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.O.O.OS(=O)(=O)O

Product Overview

Quinine sulfate (USP) (CAS 6119-70-6), with molecular formula C40H54N4O10S and molecular weight 782.3561 g/mol. IUPAC: bis((R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid;dihydrate.

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