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2D Structure
Also known as: Quinidex (tn), Quinidine sulfate (usp), Dtxsid80975964, Quinidine sulfate hydrate (jp17), Akos015895974, D02272
Molecular Formula
C40H54N4O10S
Molecular Weight
782.9  g/mol
InChI Key
ZHNFLHYOFXQIOW-YKSBFIEBSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
2.1.2 InChI
InChI=1S/2C20H24N2O2.H2O4S.2H2O/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);2*1H2/t2*13-,14?,19+,20-;;;/m00.../s1
2.1.3 InChI Key
ZHNFLHYOFXQIOW-YKSBFIEBSA-N
2.1.4 Canonical SMILES
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
2.1.5 Isomeric 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
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Quinidex (tn)

2. Quinidine Sulfate (usp)

3. Dtxsid80975964

4. Quinidine Sulfate Hydrate (jp17)

5. Akos015895974

6. D02272

7. Sulfuric Acid--6'-methoxycinchonan-9-ol--water (1/2/2)

8. (s)-[(2r,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric Acid;dihydrate

9. 60553-86-8

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 782.9 g/mol
Molecular Formula C40H54N4O10S
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass782.35606511 g/mol
Monoisotopic Mass782.35606511 g/mol
Topological Polar Surface Area176 Ų
Heavy Atom Count55
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameQuinidine sulfate
Drug LabelQuinidine is an antimalarial schizonticide and an antiarrhythmic agent with class 1A activity; it is the -isomer of quinine, and its molecular weight is 324.43. dQuinidine sulfate is the sulfate salt of quinidine; its chemical name is cinchonan-9-ol,...
Active IngredientQuinidine sulfate
Dosage FormTablet, extended release; Tablet
RouteOral
Strength200mg; 300mg
Market StatusPrescription
CompanySandoz; Watson Labs; Teva Pharms; Mutual Pharm

2 of 2  
Drug NameQuinidine sulfate
Drug LabelQuinidine is an antimalarial schizonticide and an antiarrhythmic agent with class 1A activity; it is the -isomer of quinine, and its molecular weight is 324.43. dQuinidine sulfate is the sulfate salt of quinidine; its chemical name is cinchonan-9-ol,...
Active IngredientQuinidine sulfate
Dosage FormTablet, extended release; Tablet
RouteOral
Strength200mg; 300mg
Market StatusPrescription
CompanySandoz; Watson Labs; Teva Pharms; Mutual Pharm