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Pitavastatin Sodium Salt

CAT: 1596-AR-P29431-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P29431-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
574705-92-3
Synonyms
Sodium (3R,5S, E) -7- (2-cyclopropyl-4- (4-fluorophenyl) quinolin-3-yl) -3,5-dihydroxyhept-6-enoate;6-Heptenoic acid, 7- (2-cyclopropyl-4- (4-fluorophenyl) -3-quinolinyl) -3,5-dihydroxy-, monosodium salt, (3R,5S,6E) -;6-Heptenoic acid, 7- (2-cyclopropyl-4- (4-fluorophenyl) -3-quinolinyl) -3,5-dihydroxy-, sodium salt (1:1), (3R,5S,6E) -; sodium (3R,5S,6E) -7-[2-cyclopropyl-4- (4-fluorophenyl) quinolin-3-yl]-3,5-dihydroxyhept-6-enoate; Sodium = (3R,5S,6E) -7-[2-cyclopropyl-4- (4-fluorophenyl) -3-quinolyl]-3,5-dihydroxy-6-heptenoate
Molecular Formula
C25H23FNNaO4
Molecular Weight
443.44
API Name
Pitavastatin

Chemical Information

Pitavastatin sodium
CAS Number574705-92-3
PubChem CID23696934
IUPAC Namesodium (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
Molecular FormulaC25H23FNNaO4
Molecular Weight443.4
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity637
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.[Na+]
InChI
InChI=1S/C25H24FNO4.Na/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);/q;+1/p-1/b12-11+;/t18-,19-;/m1./s1
InChIKey
NBDQGOCGYHMDSJ-NRFPMOEYSA-M
Chemical Structure
2D Structure
2D structure of Pitavastatin sodium
CAS: 574705-92-3
CID: 23696934
Formula: C25H23FNNaO4
MW: 443.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass443.15088066
Monoisotopic Mass443.15088066
Topological Polar Surface Area93.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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TRC-P531007-1MGPitavastatin-d5 Sodium Salt
CS-SN-00063Pitavastatin-D4 Sodium Salt
T62598-01Pitavastatin sodium
HY-B0144BPitavastatin (sodium)
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FC43190-01Pitavastatin (+) -phenylethylamine salt
HY-B0144AS1Pitavastatin-d5 (sodium)
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