API0233472
Quinine Sulfate
Quinidine Sulfate is an antiarrhythmic drug.
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CAS No.
804-63-7
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Synonyms
quinine sulfate; 804-63-7; Legatrin
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Compound CID
16051948
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Molecular Weight (g/mol)
746.9
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Molecular Formula
C40H50N4O8S
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InChI
InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1
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InChIKey
RONWGALEIBILOG-VMJVVOMYSA-N
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SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O
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IUPAC Name
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid
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Exact Mass (Da)
746.33493574
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Monoisotopic Mass (Da)
746.33493574
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