Analyte Name

Furosemide Acyl-beta-D-glucuronide

CAS Number

72967-59-0

Molecular Formula

C18 H19 Cl N2 O11 S

Molecular Weight

506.87

Accurate Mass

506.0398

SMILES

NS(=O)(=O)c1cc(C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c(NCc3occc3)cc1Cl

InChI

InChI=1S/C18H19ClN2O11S/c19-9-5-10(21-6-7-2-1-3-30-7)8(4-11(9)33(20,28)29)17(27)32-18-14(24)12(22)13(23)15(31-18)16(25)26/h1-5,12-15,18,21-24H,6H2,(H,25,26)(H2,20,28,29)/t12-,13-,14+,15-,18-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20C Freezer

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family