2-Hydroxy Atorvastatin-d5 Sodium Salt

Analyte Name

o-Hydroxy Atorvastatin, phenyl-d5, Disodium Salt

CAS Number

1276537-19-9

Molecular Formula

C33 2H5 H28 F N2 O6 . 2 Na

Molecular Weight

623.63

Accurate Mass

623.2432

SMILES

[Na+].[Na+].[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c(C(=O)Nc3ccccc3[O-])c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2c4ccc(F)cc4

InChI

InChI=1S/C33H35FN2O6.2Na/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41;;/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);;/q;2*+1/p-2/t24-,25-;;/m1../s1/i3D,4D,5D,8D,9D;;

IUPAC

disodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-oxidophenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Alternate CAS Number

Disodium salt: 1276537-19-9

Unlabelled CAS Number

Free acid: 214217-86-4

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Metabolite; API

Product Format

Neat

API Family

Atorvastatin

Purity

>95% (HPLC)