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CHEBI:2627 - ambenonium

ChEBI IDCHEBI:2627
ChEBI Nameambenonium
Stars
DefinitionA symmetrical oxalamide-based bis-quaternary ammonium ion having ethyl and 2-chlorobenzyl groups attached to the nitrogens.
Last Modified22 February 2017
DownloadsMolfile
FormulaC28H42Cl2N4O2
Net Charge+2
Average Mass537.576
Monoisotopic Mass536.26738
SMILESCC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl
InChIInChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2
InChIKeyOMHBPUNFVFNHJK-UHFFFAOYSA-P
Wikipedia
Roles Classification
Biological Role:
EC 3.1.1.8 (cholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
ChEBI Ontology
Outgoing Relation(s)
ambenonium (CHEBI:2627) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
ambenonium (CHEBI:2627) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
2,2'-[(1,2-dioxoethane-1,2-diyl)diimino]bis[N-(2-chlorobenzyl)-N,N-diethylethanaminium]
Synonyms  Source
AmbenoniumKEGG COMPOUND
Ambenonium BaseChemIDplus
AmbenonumChemIDplus
Manual XrefsDatabases
C07773KEGG COMPOUND
AmbenoniumWikipedia
DB01122DrugBank
146DrugCentral
Registry NumbersSources
Beilstein:4168740Beilstein
CAS:7648-98-8KEGG COMPOUND
CAS:7648-98-8ChemIDplus