Analyte Name

Diflunisal 1-O-beta-D-Glucuronide

CAS Number

58446-29-0

Molecular Formula

C19 H16 F2 O9

Molecular Weight

426.322

Accurate Mass

426.076

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2C(=O)O)c3ccc(F)cc3F)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C19H16F2O9/c20-8-2-3-9(11(21)6-8)7-1-4-12(10(5-7)17(25)26)29-19-15(24)13(22)14(23)16(30-19)18(27)28/h1-6,13-16,19,22-24H,(H,25,26)(H,27,28)/t13-,14-,15+,16-,19+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat