Description:
Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide is a prominent compound in the research of dyslipidemia and associated cardiovascular disorders. Its efficacious mechanism of action lies in its tremendous capacity to inhibit HMG-CoA reductase, a pivotal enzyme profoundly engaged in the intricate process of cholesterol biosynthesis.
- Molecular Weight: 736.86
- Molecular Formula: C40H48FN3O8?0.5Ca
Purity: 95%
Canonical SMILES:
CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)NCCC(CC(CC(=O)[O-])O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)NCCC(CC(CC(=O)[O-])O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]
InChI:
InChI=1S/2C40H48FN3O8.Ca/c2*1-25(2)38-37(40(52)43-29-11-7-4-8-12-29)36(26-9-5-3-6-10-26)39(27-13-15-28(41)16-14-27)44(38)20-18-31(46)22-32(47)23-34(49)42-19-17-30(45)21-33(48)24-35(50)51;/h2*3-16,25,30-33,45-48H,17-24H2,1-2H3,(H,42,49)(H,43,52)(H,50,51);/q;;+2/p-2/t2*30-,31-,32-,33-;/m11./s1
InChIKey: CETKLOGGRFIZAH-WGRAOLKJSA-L
- Application: Atorvastatin (A791750) impurity.
Synonyms:
(3R,5R)-7-[[(3R,5R)-7-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]-3,5-dihydroxy-1-oxoheptyl]amino]-3,5-dihydroxy-heptanoic Acid Calcium Salt;
More details are to be found on supplier website
