Catalog Number:
AG00C39I
Chemical Name:
para-Hydroxy Atorvastatin CalciuM Salt
CAS Number:
265989-44-4
Molecular Formula:
C66H68CaF2N4O12
Molecular Weight:
1187.3405
IUPAC Name:
calcium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
InChI:
InChI=1S/2C33H35FN2O6.Ca/c2*1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41;/h2*3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);/q;;+2/p-2/t2*26-,27-;/m11./s1
InChI Key:
PYIWEMFVBXVPDU-MNSAWQCASA-L
SMILES:
O[C@@H](C[C@H](CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccc(cc1)O.O[C@@H](C[C@H](CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccc(cc1)O.[Ca+2]
