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Structure

Metoclopramide n4-β-D-glucuronide

CAS
27313-54-8
Catalog Number
ACM27313548
Category
Other Products
Molecular Weight
475.92
Molecular Formula
C20H30ClN3O8

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Specification

Synonyms
1-[[2-Chloro-4-[[[2-(diethylamino)ethyl]amino]carbonyl]-5-methoxyphenyl]amino]-1-deoxy-β-D-Glucopyranuronic Acid; Metoclopramide N4-Glucuronide;
IUPAC Name
(2S,3S,4S,5R,6R)-6-[2-chloro-4-[2-(diethylamino)ethylcarbamoyl]-5-methoxyanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC2C(C(C(C(O2)C(=O)O)O)O)O)Cl
InChI Key
SOHPSIDRULBFFB-YUAHOQAQSA-N
Exact Mass
475.17200
H-Bond Acceptor
10
H-Bond Donor
6
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