Pitavastatin

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CAS Number

147511-69-1

Synonyms

(3R,5S,6E) -7- (2-Cyclopropyl-4- (4-fluorophenyl) quinolin-3-yl) -3,5-dihydroxyhept-6-enoic acid

Smiles

C1CC1C2=NC3=CC=CC=C3C (=C2/C=C/[C@H] (C[C@H] (CC (=O) O) O) O) C4=CC=C (C=C4) F

Molecular Formula

C25H24FNO4

Molecular Weight

421.46 g/mol

Controlled

Chemical Information

Pitavastatin

Pitavastatin is a dihydroxy monocarboxylic acid that is (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-6-enoic acid in which the two hydroxy groups are located at positions 3 and 5 (the 3R,5S-stereoisomer). Used as its calcium salt 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 member of quinolines, a dihydroxy monocarboxylic acid, a member of cyclopropanes, a member of monofluorobenzenes and a statin (synthetic). It is a conjugate acid of a pitavastatin(1-).

CAS Number	147511-69-1
PubChem CID	5282452
IUPAC Name	(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
Molecular Formula	C25H24FNO4
Molecular Weight	421.5
XLogP	3.5
Topological Polar Surface Area	90.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	631

SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FNO4/c26-17-9-7-15(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/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1

InChIKey

VGYFMXBACGZSIL-MCBHFWOFSA-N

Chemical Structure

2D Structure

CAS: 147511-69-1

CID: 5282452

Formula: C25H24FNO4

MW: 421.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	421.5
XLogP3	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	421.16893641
Monoisotopic Mass	421.16893641
Topological Polar Surface Area	90.7 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	631
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-476656	Pitavastatin Lactone Pitavastatin
B1124-10	Pitavastatin
M26381-01	Pitavastatin lactone
A8504-5.1	Pitavastatin Calcium
HY-108744	Pitavastatin (magnesium)
HY-B0144AR-01	Pitavastatin (Standard)
AR-P29429-01	Pitavastatin Acid
HY-B0144AS-01	Pitavastatin-d4
T62598-01	Pitavastatin sodium
AR-P31941-01	Pitavastatin-13C6

Pitavastatin

Chemical Information

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