Analyte Name

Belinostat Glucuronide-d5

Molecular Formula

C21 D5 H17 N2 O10 S

Molecular Weight

499.503

Accurate Mass

499.131

SMILES

[2H]c1c([2H])c([2H])c(NS(=O)(=O)c2cccc(\C=C\C(=O)NO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c2)c([2H])c1[2H]

InChI

InChI=1S/C21H22N2O10S/c24-15(22-33-21-18(27)16(25)17(26)19(32-21)20(28)29)10-9-12-5-4-8-14(11-12)34(30,31)23-13-6-2-1-3-7-13/h1-11,16-19,21,23,25-27H,(H,22,24)(H,28,29)/b10-9+/t16-,17-,18+,19-,21-/m0/s1/i1D,2D,3D,6D,7D

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(E)-3-[3-[(2,3,4,5,6-pentadeuteriophenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]oxyoxane-2-carboxylic acid

Unlabelled CAS Number

1486471-13-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat