Catalog Number:
AG009EH2
Chemical Name:
5-Oxo Atorvastatin
CAS Number:
1391052-82-6
Molecular Formula:
C33H33FN2O5
Molecular Weight:
556.6239
MDL Number:
MFCD29045121
IUPAC Name:
(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxy-5-oxoheptanoic acid
InChI:
InChI=1S/C33H33FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,27,38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t27-/m1/s1
InChI Key:
HIWOZSQQGYAAGY-HHHXNRCGSA-N
SMILES:
O=C(C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1
