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CHEBI:4391 - demecarium bromide

ChEBI IDCHEBI:4391
ChEBI Namedemecarium bromide
Stars
DefinitionThe methobromide salt of the N,N'-bis[3-(dimethylamino)phenyl carbamate] derivative of 2,13-diazatetradecane. It is an inhibitor of acetylcholinesterase and pseudocholinesterase, with a long duration of action. It is used in the treatment of chronic open-angle glaucoma: in the eye, it causes constriction of the iris sphincter muscle and the ciliary muscle, facilitating the outflow of the aqueous humor and so reducing intraocular pressure.
Last Modified8 July 2010
DownloadsMolfile
Formula2Br.C32H52N4O4
Net Charge0
Average Mass716.600
Monoisotopic Mass714.23553
SMILESCN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-].[Br-]
InChIInChI=1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2
InChIKeyYHKBUDZECQDYBR-UHFFFAOYSA-L
Wikipedia
Roles Classification
Biological Roles:
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).
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
ChEBI Ontology
Outgoing Relation(s)
demecarium bromide (CHEBI:4391) has part demarcarium (CHEBI:59719)
demecarium bromide (CHEBI:4391) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
demecarium bromide (CHEBI:4391) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
demecarium bromide (CHEBI:4391) is a bromide salt (CHEBI:22925)
demecarium bromide (CHEBI:4391) is a carbamate ester (CHEBI:23003)
demecarium bromide (CHEBI:4391) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
3,3'-{decane-1,10-diylbis[(methylcarbamoyl)oxy]}bis(N,N,N-trimethylanilinium) dibromide
INNs  Source
bromuro de demecarioChemIDplus
demecarium bromideChemIDplus
demecarii bromidumChemIDplus
bromure de demecariumChemIDplus
Synonyms  Source
N,N'-bis(3-trimethylammoniumphenoxycarbonyl)-N,N'-dimethyldecamethylenediamine dibromideChemIDplus
(m-hydroxyphenyl)trimethylammonium bromide decamethylenebis(methylcarbamate)ChemIDplus
decamethylenebis(N-methylcarbamic acid m-dimethylaminophenyl ester) bromomethylateChemIDplus
decamethylenebis(m-dimethylaminophenyl-N-methylcarbamate)dimethobromideChemIDplus
Manual XrefsDatabases
D00667KEGG DRUG
DB00944DrugBank
Demecarium_BromideWikipedia
Registry NumbersSources
Beilstein:3880925Beilstein
CAS:56-94-0KEGG DRUG
CAS:56-94-0ChemIDplus