CHEBI:31512 - distigmine bromide

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ChEBI Name distigmine bromide
ChEBI ID CHEBI:31512
Definition An organic bromide salt of distigmine. It is an anticholinesterase drug used for the treatment of myasthenia gravis and postoperative urinary retention.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C22H32Br2N4O4
C22H32N4O4.Br.Br
Net Charge 0
Average Mass 576.330
Monoisotopic Mass 574.07903
InChI InChI=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
InChIKey GJHSNEVFXQVOHR-UHFFFAOYSA-L
SMILES [Br-].[Br-].C1(=CC=C[N+](=C1)C)OC(N(CCCCCCN(C(OC=2C=[N+](C=CC2)C)=O)C)C)=O
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 Sources
bromure de distigmine WHO MedNet
bromuro de distigmina WHO MedNet
distigmine bromide WHO MedNet
distigmini bromidum WHO MedNet
Synonyms Sources
3,3'-(1,6-hexanediylbis((methylimino)carbonyl)oxy)bis(1-methylpyridinium) dibromide ChemIDplus
3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridin-1-ium) dibromide IUPAC
BC 51 ChemIDplus
BC-51 ChEBI
hexamarium bromide ChEBI
Brand Names Sources
Adcostigmine ChEBI
Ubretid KEGG DRUG
Ubritil ChemIDplus
Manual Xrefs Databases
D01228 KEGG DRUG
Distigmine Wikipedia
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Registry Number Type Source
15876-67-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
20 December 2019