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CHEBI:91514 - 3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester

ChEBI IDCHEBI:91514
ChEBI Name3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC25H35NO5
Net Charge0
Average Mass429.557
Monoisotopic Mass429.25152
SMILESCCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3
InChIKeyVYVKHNNGDFVQGA-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-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester (CHEBI:91514) is a methoxybenzoic acid (CHEBI:25238)
Synonyms  Source
CSAG 144DrugCentral
mebeverine HClDrugCentral
mebeverine hydrochlorideDrugCentral
Manual XrefsDatabases
LSM-1296LINCS
1642DrugCentral
Registry NumbersSources
CAS:3625-06-7DrugCentral