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Pitavastatin lactone (Standard)

CAT: 0804-HY-125643RSize: 1 EachDry Ice: NoHazardous: No
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Description
Tobramycin (Standard) is the analytical standard of Tobramycin. This product is intended for research and analytical applications. Tobramycin (Nebramycin Factor 6) is a parenterally administered, broad spectrum aminoglycoside antibiotic that is widely used in the treatment of moderate to severe bacterial infections due to sensitive organisms[1].Tobramycin can be used to pneumonia research caused by Pseudomonas aeruginosa[2][3].
CAS Number
141750-63-2
UNSPSC
12352005
Target
Drug Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cardiovascular Disease
Smiles
O=C1C[C@H](O)C[C@@H](/C=C/C2=C(C3=CC=C(F)C=C3)C4=CC=CC=C4N=C2C5CC5)O1
Molecular Formula
C25H22FNO3
Molecular Weight
403.45
References & Citations
[1]Fujino H, et al. Metabolic fate of pitavastatin, a new inhibitor of HMG-CoA reductase: human UDP-glucuronosyltransferase enzymes involved in lactonization. Xenobiotica. 2003 Jan;33 (1) :27-41.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

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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