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CHEBI:31512 - distigmine bromide

Default Structure
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
bromure de distigmineWHO MedNet
bromuro de distigminaWHO MedNet
distigmine bromideWHO MedNet
distigmini bromidumWHO MedNet
Synonyms  Source
3,3'-(1,6-hexanediylbis((methylimino)carbonyl)oxy)bis(1-methylpyridinium) dibromideChemIDplus
3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridin-1-ium) dibromideIUPAC
BC 51ChemIDplus
BC-51ChEBI
hexamarium bromideChEBI
Brand Names  Source
AdcostigmineChEBI
UbretidKEGG DRUG
UbritilChemIDplus
Manual XrefsDatabases
D01228KEGG DRUG
DistigmineWikipedia
Registry NumbersSources
CAS:15876-67-2ChemIDplus
Citations