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CHEBI:32261 - Trimebutine maleate

ChEBI IDCHEBI:32261
ChEBI NameTrimebutine maleate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H29NO5.C4H4O4
Net Charge0
Average Mass503.548
Monoisotopic Mass503.21553
SMILESCCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyFSRLGULMGJGKGI-BTJKTKAUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Trimebutine maleate (CHEBI:32261) is a trihydroxybenzoic acid (CHEBI:27115)
Synonym  Source
Trimebutine maleateKEGG COMPOUND
Manual XrefsDatabases
D01500KEGG DRUG
Registry NumbersSources
CAS:34140-59-5KEGG COMPOUND