Pravastatin-d3 Sodium Salt (major)

Analyte Name

Pravastatin sodium salt 2-(methyl-d3)butanoyl

CAS Number

1329836-90-9

Molecular Formula

C23 2H3 H32 O7 . Na

Molecular Weight

449.53

Accurate Mass

449.2469

SMILES

[Na+].[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@@H]12

InChI

InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1/i2D3;

IUPAC

sodium;(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-(trideuteriomethyl)butanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate

Unlabelled CAS Number

Salt: 81131-70-6

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

Pravastatin

Purity

>95% (HPLC)