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

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ChEBI Name 3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester
ChEBI ID CHEBI:91514
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H35NO5
Net Charge 0
Average Mass 429.550
Monoisotopic Mass 429.252
InChI InChI=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
InChIKey VYVKHNNGDFVQGA-UHFFFAOYSA-N
SMILES CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester (CHEBI:91514) is a methoxybenzoic acid (CHEBI:25238)
Synonyms Sources
CSAG 144 DrugCentral
mebeverine HCl DrugCentral
mebeverine hydrochloride DrugCentral
Manual Xrefs Databases
1642 DrugCentral
LSM-1296 LINCS
View more database links
Registry Number Type Source
3625-06-7 CAS Registry Number DrugCentral
Last Modified
22 February 2017