CHEBI:3743 - clidinium

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ChEBI Name clidinium
ChEBI ID CHEBI:3743
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:126351
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Formula C22H26NO3
Net Charge +1
Average Mass 352.44670
Monoisotopic Mass 352.191
InChI InChI=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+
InChIKey HOOSGZJRQIVJSZ-NNBUQUNQSA-N
SMILES C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
Roles Classification
Biological Role(s): 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.
Application(s): 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.
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.
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ChEBI Ontology
Outgoing 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 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 Sources
3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octane ChEMBL
3-hydroxy-1-methylquinuclidinium benzilate ester ChemIDplus
CLIDINIUM ChEMBL
Clidinium KEGG COMPOUND
N-methyl quinuclidinyl benzilate ChemIDplus
Database Links Databases
C07853 KEGG COMPOUND
DB00771 DrugBank
View more database links
Registry Numbers Types Sources
7020-55-5 CAS Registry Number KEGG COMPOUND
7020-55-5 CAS Registry Number ChemIDplus
8798002 Beilstein Registry Number Beilstein
Last Modified
04 August 2014