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CHEBI:31512 - distigmine bromide

ChEBI IDCHEBI:31512
ChEBI Namedistigmine bromide
Stars
DefinitionAn organic bromide salt of distigmine. It is an anticholinesterase drug used for the treatment of myasthenia gravis and postoperative urinary retention.
Last Modified20 December 2019
DownloadsMolfile
Formula2Br.C22H32N4O4
Net Charge0
Average Mass576.330
Monoisotopic Mass574.07903
SMILESCN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1.[Br-].[Br-]
InChIInChI=1S/C22H32N4O4.2BrH/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20;;/h9-14,17-18H,5-8,15-16H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyGJHSNEVFXQVOHR-UHFFFAOYSA-L
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)
distigmine bromide (CHEBI:31512) has part distigmine (CHEBI:80756)
distigmine bromide (CHEBI:31512) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
distigmine bromide (CHEBI:31512) is a organic bromide salt (CHEBI:48369)
distigmine bromide (CHEBI:31512) is a pyridinium salt (CHEBI:38188)
IUPAC Name 
3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridinium) dibromide
INNs  Source
distigmine bromideWHO MedNet
bromure de distigmineWHO MedNet
distigmini bromidumWHO MedNet
bromuro de distigminaWHO MedNet
Synonyms  Source
3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridin-1-ium) dibromideIUPAC
hexamarium bromideChEBI
BC 51ChemIDplus
3,3'-(1,6-hexanediylbis((methylimino)carbonyl)oxy)bis(1-methylpyridinium) dibromideChemIDplus
BC-51ChEBI
Brand Names  Source
UbretidKEGG DRUG
AdcostigmineChEBI
UbritilChemIDplus
Manual XrefsDatabases
D01228KEGG DRUG
DistigmineWikipedia
Registry NumbersSources
CAS:15876-67-2ChemIDplus
Citations