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Pitavastatin Calcium

CAT: 0024-sc-208176Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-208176Size:10 mg
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CAS Number
147526-32-7

Chemical Information

Pitavastatin Calcium

Pitavastatin calcium is the calcium salt of pitavastatin. Used for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise. It has a role as an antioxidant. It is a calcium salt and a statin (synthetic). It contains a pitavastatin(1-).

CAS Number147526-32-7
PubChem CID5282451
IUPAC Namecalcium bis((E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate)
Molecular FormulaC50H46CaF2N2O8
Molecular Weight881.0
Topological Polar Surface Area187
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count63
Formal Charge0
Complexity626
SMILES
C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[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
InChIKey
RHGYHLPFVJEAOC-FFNUKLMVSA-L
Chemical Structure
2D Structure
2D structure of Pitavastatin Calcium
CAS: 147526-32-7
CID: 5282451
Formula: C50H46CaF2N2O8
MW: 881.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight881.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass880.2848136
Monoisotopic Mass880.2848136
Topological Polar Surface Area187 Ų
Heavy Atom Count63
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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