Atorvastatin-d5 Sodium Salt

Analyte Name

Atorvastatin-D5 Sodium Salt (N-phenyl-D5)

CAS Number

2170106-11-1

Molecular Formula

C33 2H5 H29 F N2 O5 . Na

Molecular Weight

585.65

Accurate Mass

585.2663

SMILES

[Na+].[2H]c1c([2H])c([2H])c(NC(=O)c2c(c3ccccc3)c(c4ccc(F)cc4)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c([2H])c1[2H]

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-;/m1./s1/i4D,7D,8D,11D,12D;

IUPAC

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

Unlabelled CAS Number

134523-01-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Atorvastatin Calcium; Atorvastatin

Purity

>95% (HPLC)