CHEBI:3743 - clidinium

ChEBI IDCHEBI:3743
ChEBI Nameclidinium
Stars
DefinitionThe ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome.
Secondary ChEBI IDCHEBI:126351
Last Modified3 August 2014
DownloadsMolfile
FormulaC22H26NO3
Net Charge+1
Average Mass352.454
Monoisotopic Mass352.19072
SMILESC[N@+]12CC[C@H](CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1/t17-,20?,23+
InChIKeyHOOSGZJRQIVJSZ-NNBUQUNQSA-N
Roles Classification
Biological Role:
parasympatholytic  Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists.
Applications:
anti-arrhythmia drug  A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
parasympatholytic  Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists.
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
ChEBI Ontology
Outgoing Relation(s)
clidinium (CHEBI:3743) has functional parent 3-quinuclidinol (CHEBI:115239)
clidinium (CHEBI:3743) has functional parent benzilic acid (CHEBI:39414)
clidinium (CHEBI:3743) has role anti-arrhythmia drug (CHEBI:38070)
clidinium (CHEBI:3743) has role antispasmodic drug (CHEBI:53784)
clidinium (CHEBI:3743) has role parasympatholytic (CHEBI:50370)
clidinium (CHEBI:3743) is a carboxylic ester (CHEBI:33308)
clidinium (CHEBI:3743) is a organic cation (CHEBI:25697)
clidinium (CHEBI:3743) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
clidinium bromide (CHEBI:3744) has part clidinium (CHEBI:3743)
IUPAC Name 
3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane
Synonyms  Source
ClidiniumKEGG COMPOUND
3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octaneChEMBL
CLIDINIUMChEMBL
3-hydroxy-1-methylquinuclidinium benzilate esterChemIDplus
N-methyl quinuclidinyl benzilateChemIDplus
Manual XrefsDatabases
C07853KEGG COMPOUND
DB00771DrugBank
Registry NumbersSources
Beilstein:8798002Beilstein
CAS:7020-55-5KEGG COMPOUND
CAS:7020-55-5ChemIDplus