Quinidine Sulfate Hydrate

Synopsis, Chemistry

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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

Quinidine Sulfate Hydrate

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 Formula	C₄₀H₅₄N₄O₁₀S
Molecular Weight	782.9 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	782.35606511 g/mol
Monoisotopic Mass	782.35606511 g/mol
Topological Polar Surface Area	176 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	538
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Quinidine sulfate
Drug Label	Quinidine 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 Ingredient	Quinidine sulfate
Dosage Form	Tablet, extended release; Tablet
Route	Oral
Strength	200mg; 300mg
Market Status	Prescription
Company	Sandoz; Watson Labs; Teva Pharms; Mutual Pharm

2 of 2
Drug Name	Quinidine sulfate
Drug Label	Quinidine 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 Ingredient	Quinidine sulfate
Dosage Form	Tablet, extended release; Tablet
Route	Oral
Strength	200mg; 300mg
Market Status	Prescription
Company	Sandoz; Watson Labs; Teva Pharms; Mutual Pharm