Analyte Name

3-Fluoro Atorvastatin Sodium Salt-d5

Molecular Formula

C33 D5 H29 F N2 Na O5

Molecular Weight

585.652

Accurate Mass

585.266

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)O[Na])c2c4cccc(F)c4

InChI

InChI=1S/C33H35FN2O5.Na/c1-21(2)31-30(33(41)35-25-14-7-4-8-15-25)29(22-10-5-3-6-11-22)32(23-12-9-13-24(34)18-23)36(31)17-16-26(37)19-27(38)20-28(39)40;/h3-15,18,21,26-27,37-38H,16-17,19-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1/t26-,27-;/m1./s1/i3D,5D,6D,10D,11D;

IUPAC

[(3R,5R)-7-[2-(3-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]oxysodium

Unlabelled CAS Number

134523-00-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat