CHEBI:31408 - Clebopride malate

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ChEBI Name Clebopride malate
ChEBI ID CHEBI:31408
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C20H25ClN3O2.C4H5O5
C24H30ClN3O7
Net Charge 0
Average Mass 507.965
Monoisotopic Mass 507.17723
InChI InChI=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)
InChIKey NYNKCGWJPNZJMI-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)C[NH+]2CCC(CC2)NC(=O)C3=CC(=C(C=C3OC)N)Cl.C(C(C(=O)[O-])O)C(=O)O
ChEBI Ontology
Outgoing Clebopride malate (CHEBI:31408) is a piperidines (CHEBI:26151)
Synonym Source
Clebopride malate KEGG COMPOUND
Manual Xref Database
D01742 KEGG DRUG
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Registry Number Type Source
57645-91-7 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017