PITAVASTATIN CALCIUM

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII IYD54XEG3W
EPA CompTox DTXSID4046448
Parent Compound: PITAVASTATIN

Structure

InChI Key RHGYHLPFVJEAOC-FFNUKLMVSA-L
Smiles O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]
InChI
InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C50H46CaF2N2O8
Molecular Weight 881.0
AlogP 4.52
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 90.65
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

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

Target Conservation

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

Cross References

Resources Reference
ChEBI 71258
ChEMBL CHEMBL1237061
FDA SRS IYD54XEG3W
KEGG D01862
PubChem 5282451
SureChEMBL SCHEMBL22720
ZINC ZINC01534965
CONTENTS