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CHEBI:31408 - Clebopride malate

ChEBI IDCHEBI:31408
ChEBI NameClebopride malate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC20H25ClN3O2.C4H5O5
Net Charge0
Average Mass507.971
Monoisotopic Mass507.17723
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1.O=C(O)CC(O)C(=O)[O-]
InChIInChI=1S/C20H24ClN3O2.C4H6O5/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-2(4(8)9)1-3(6)7/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyNYNKCGWJPNZJMI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Clebopride malate (CHEBI:31408) is a piperidines (CHEBI:26151)
Synonym  Source
Clebopride malateKEGG COMPOUND
Manual XrefsDatabases
D01742KEGG DRUG
Registry NumbersSources
CAS:57645-91-7KEGG COMPOUND