Analyte Name

Sodium Phenylbutyrate-d11

CAS Number

1392208-11-5

Molecular Formula

C10 2H11 O2 . Na

Molecular Weight

197.25

Accurate Mass

197.1347

SMILES

[Na+].[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)[O-]

InChI

InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1/i1D,2D,3D,4D2,5D,6D,7D2,8D2;

IUPAC

sodium;2,2,3,3,4,4-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate

Unlabelled CAS Number

1716-12-7

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat

API Family

Sodium Phenylbutyrate