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CHEBI:190051 - Metoclopramide N4-sulfate

ChEBI IDCHEBI:190051
ChEBI NameMetoclopramide N4-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22ClN3O5S
Net Charge0
Average Mass379.866
Monoisotopic Mass379.09687
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(NS(=O)(=O)O)cc1OC
InChIInChI=1S/C14H22ClN3O5S/c1-4-18(5-2)7-6-16-14(19)10-8-11(15)12(9-13(10)23-3)17-24(20,21)22/h8-9,17H,4-7H2,1-3H3,(H,16,19)(H,20,21,22)
InChIKeyZHMTXLHHLGRAPZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Metoclopramide N4-sulfate (CHEBI:190051) is a sulfonamide (CHEBI:35358)
IUPAC Name 
[2-chloro-4-[2-(diethylamino)ethylcarbamoyl]-5-methoxyphenyl]sulamic acid
Manual XrefsDatabases
31046938ChemSpider