Rosuvastatin Zinc

Synopsis, Chemistry

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Also known as:

Molecular Formula

C₄₄H₅₆F₂N₆O₁₂S₂Zn+₂

Molecular Weight

1028.5 g/mol

InChI Key

KUQHZGJLQWUFPU-BGRFNVSISA-N

1 2D Structure

Rosuvastatin Zinc

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

zinc;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid

2.1.2 InChI

InChI=1S/2C22H28FN3O6S.Zn/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/b2*10-9+;/t2*16-,17-;/m11./s1

2.1.3 InChI Key

KUQHZGJLQWUFPU-BGRFNVSISA-N

2.1.4 Canonical SMILES

CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Zn+2]

2.1.5 Isomeric SMILES

CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.[Zn+2]

2.2 Create Date

2012-03-21

3 Chemical and Physical Properties

Molecular Formula	C₄₄H₅₆F₂N₆O₁₂S₂Zn+₂
Molecular Weight	1028.5 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	20
Exact Mass	1026.265712 g/mol
Monoisotopic Mass	1026.265712 g/mol
Topological Polar Surface Area	299 A^2
Heavy Atom Count	67
Formal Charge	2
Complexity	767
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Rosuvastatin zinc
Active Ingredient	Rosuvastatin zinc
Dosage Form	Tablet
Route	oral
Strength	5mg; 10mg; 40mg; 20mg
Market Status	Tentative Approval
Company	Watson Labs

2 of 2
Drug Name	Rosuvastatin zinc
Active Ingredient	Rosuvastatin zinc
Dosage Form	Tablet
Route	oral
Strength	5mg; 10mg; 40mg; 20mg
Market Status	Tentative Approval
Company	Watson Labs