Analyte Name

Metoclopramide N4-beta-D-Glucuronide

CAS Number

27313-54-8

Molecular Formula

C20 H30 Cl N3 O8

Molecular Weight

475.921

Accurate Mass

475.172

SMILES

CCN(CC)CCNC(=O)c1cc(Cl)c(N[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc1OC

InChI

InChI=1S/C20H30ClN3O8/c1-4-24(5-2)7-6-22-18(28)10-8-11(21)12(9-13(10)31-3)23-19-16(27)14(25)15(26)17(32-19)20(29)30/h8-9,14-17,19,23,25-27H,4-7H2,1-3H3,(H,22,28)(H,29,30)/t14-,15-,16+,17-,19+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[2-chloro-4-[2-(diethylamino)ethylcarbamoyl]-5-methoxyanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat