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CHEBI:80756 - distigmine

ChEBI IDCHEBI:80756
ChEBI Namedistigmine
Stars
DefinitionA carbamate ester resulting from the formal condensation of both carboxy groups of hexane-1,6-diylbis(methylcarbamic acid) with the hydroxy group of 3-hydroxy-1-methylpyridinium.
Last Modified20 December 2019
DownloadsMolfile
FormulaC22H32N4O4
Net Charge+2
Average Mass416.522
Monoisotopic Mass416.24126
SMILESCN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1
InChIInChI=1S/C22H32N4O4/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/q+2
InChIKeyAHZBEVXBKNYXPU-UHFFFAOYSA-N
Roles Classification
Biological Roles:
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
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).
Application:
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
ChEBI Ontology
Outgoing Relation(s)
distigmine (CHEBI:80756) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
distigmine (CHEBI:80756) has role muscarinic agonist (CHEBI:38325)
distigmine (CHEBI:80756) is a carbamate ester (CHEBI:23003)
distigmine (CHEBI:80756) is a pyridinium ion (CHEBI:50334)
Incoming Relation(s)
distigmine bromide (CHEBI:31512) has part distigmine (CHEBI:80756)
IUPAC Name 
3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridinium)
Synonyms  Source
distigmine ionChemIDplus
distigmine cationChemIDplus
3,3'-(1,6-hexanediylbis((methylimino)carbonyloxy))bis(1-methyl-pyridinium)ChemIDplus
3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridin-1-ium)IUPAC
hexamariumDrugCentral
Manual XrefsDatabases
C16823KEGG COMPOUND
927DrugCentral
DB13694DrugBank
Registry NumbersSources
CAS:17299-00-2ChemIDplus
Citations