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CHEBI:94458 - 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester

ChEBI IDCHEBI:94458
ChEBI Name3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H29NO5
Net Charge0
Average Mass387.476
Monoisotopic Mass387.20457
SMILESCCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
InChIInChI=1S/C22H29NO5/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/h8-14H,7,15H2,1-6H3
InChIKeyLORDFXWUHHSAQU-UHFFFAOYSA-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)
3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester (CHEBI:94458) is a trihydroxybenzoic acid (CHEBI:27115)
Synonyms  Source
trimebutine maleateDrugCentral
(+/-)-TrimebutineDrugCentral
Manual XrefsDatabases
LSM-5182LINCS
2748DrugCentral
Registry NumbersSources
CAS:39133-31-8DrugCentral