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Pitavastatin Lactone 10mg

CAT: 0628-A13896-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13896-10Size:10 mg
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CAS Number
141750-63-2

Chemical Information

Pitavastatin lactone
CAS Number141750-63-2
PubChem CID9801294
IUPAC Name(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
Molecular FormulaC25H22FNO3
Molecular Weight403.4
XLogP4.3
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity642
SMILES
C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H]4C[C@H](CC(=O)O4)O)C5=CC=C(C=C5)F
InChI
InChI=1S/C25H22FNO3/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-19-13-18(28)14-23(29)30-19/h1-4,7-12,16,18-19,28H,5-6,13-14H2/b12-11+/t18-,19-/m1/s1
InChIKey
XJVKVAFYQRWVAJ-MCBHFWOFSA-N
Chemical Structure
2D Structure
2D structure of Pitavastatin lactone
CAS: 141750-63-2
CID: 9801294
Formula: C25H22FNO3
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass403.15837173
Monoisotopic Mass403.15837173
Topological Polar Surface Area59.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity642
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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