Catalog Number:
AG009ELF
Chemical Name:
Atorvastatin 10-Trans (Atorvastatin Impurity AT10)
CAS Number:
131275-93-9
Molecular Formula:
C33H34FN2NaO5
Molecular Weight:
580.6216
MDL Number:
MFCD12031518
IUPAC Name:
sodium;(3R,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
InChI:
InChI=1S/C33H35FN2O5.Na/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;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1/t26-,27+;/m0./s1
InChI Key:
VVRPOCPLIUDBSA-MFHXMFJOSA-M
SMILES:
O[C@H](C[C@H](CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1.[Na+]
