Home Other Building Blocks Lovastatin Hydroxy Acid, Sodium Salt

Lovastatin Hydroxy Acid, Sodium Salt

CAS No.:
75225-50-2
Catalog Number:
AG008QMA
Molecular Formula:
C24H37NaO6
Molecular Weight:
444.5367
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Product Description
Catalog Number:
AG008QMA
Chemical Name:
Lovastatin Hydroxy Acid, Sodium Salt
CAS Number:
75225-50-2
Molecular Formula:
C24H37NaO6
Molecular Weight:
444.5367
MDL Number:
MFCD00870475
IUPAC Name:
sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
InChI:
InChI=1S/C24H38O6.Na/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28;/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,18+,19+,20-,21-,23-;/m0./s1
InChI Key:
LXZBFUBRYYVRQJ-AXHZAXLDSA-M
SMILES:
CCC(C(=O)OC1CC(C)C=C2C1C(CCC(CC(CC(=O)[O-])O)O)C(C=C2)C)C.[Na+]
UNII:
LK08RY63S3
Properties
Complexity:
661  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
444.249g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
444.544g/mol
Monoisotopic Mass:
444.249g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and biological evaluation of dihydroeptastatin, a novel inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase. Journal of medicinal chemistry 19920904
Phosphorus-containing inhibitors of HMG-CoA reductase. 1. 4-[(2-arylethyl)hydroxyphosphinyl]-3-hydroxy-butanoic acids: a new class of cell-selective inhibitors of cholesterol biosynthesis. Journal of medicinal chemistry 19901101
Properties