ROSUVASTATIN CALCIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 83MVU38M7Q
Parent Compound: ROSUVASTATIN

Structure

InChI Key LALFOYNTGMUKGG-BGRFNVSISA-L
Smiles CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]
InChI
InChI=1S/2C22H28FN3O6S.Ca/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/p-2/b2*10-9+;/t2*16-,17-;/m11./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H54CaF2N6O12S2
Molecular Weight 1001.15
AlogP 2.4
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 140.92
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
HMG-CoA reductase inhibitor INHIBITOR DailyMed

Target Conservation

Protein: HMG-CoA reductase
Description: 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Organism : Homo sapiens
P04035 ENSG00000113161

Cross References

Resources Reference
ChEBI 77249
ChEMBL CHEMBL1744447
FDA SRS 83MVU38M7Q
PubChem 5282455
SureChEMBL SCHEMBL150740
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