Analyte Name

4'-Hydroxy Diclofenac-d4 Acyl Glucuronide

Molecular Formula

C20 D4 H15 Cl2 N O9

Molecular Weight

492.297

Accurate Mass

491.069

SMILES

[2H]c1c([2H])c([2H])c(Nc2c(Cl)cc(O)cc2Cl)c(CC(=O)OC3OC(C(O)C(O)C3O)C(=O)O)c1[2H]

InChI

InChI=1S/C20H19Cl2NO9/c21-10-6-9(24)7-11(22)14(10)23-12-4-2-1-3-8(12)5-13(25)31-20-17(28)15(26)16(27)18(32-20)19(29)30/h1-4,6-7,15-18,20,23-24,26-28H,5H2,(H,29,30)/i1D,2D,3D,4D

IUPAC

3,4,5-trihydroxy-6-[2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetyl]oxyoxane-2-carboxylic acid

Unlabelled CAS Number

538357-85-6;H939570

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat