CHEBI:190051 - Metoclopramide N4-sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Metoclopramide N4-sulfate
ChEBI ID CHEBI:190051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22ClN3O5S
Net Charge 0
Average Mass 379.860
Monoisotopic Mass 379.09687
InChI InChI=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)
InChIKey ZHMTXLHHLGRAPZ-UHFFFAOYSA-N
SMILES ClC=1C=C(C(=O)NCCN(CC)CC)C(OC)=CC1NS(O)(=O)=O
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
ChEBI Ontology
Outgoing Metoclopramide N4-sulfate (CHEBI:190051) is a sulfonamide (CHEBI:35358)
IUPAC Name
[2-chloro-4-[2-(diethylamino)ethylcarbamoyl]-5-methoxyphenyl]sulamic acid
Manual Xref Database
31046938 ChemSpider
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