CHEBI:65346 - aclidinium

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ChEBI Name aclidinium
ChEBI ID CHEBI:65346
Definition A carboxylic ester obtained by formal condensation between the carboxy group of 2-hydroxy(di-2-thienyl)acetic acid and the hydroxy group of N-(3-phenoxypropyl)-3-quinuclidinol. Used as its bromide salt for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H30NO4S2
Net Charge +1
Average Mass 484.65100
Monoisotopic Mass 484.162
InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1
InChIKey ASMXXROZKSBQIH-VITNCHFBSA-N
SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
Roles Classification
Biological Role(s): muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application(s): bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aclidinium (CHEBI:65346) has functional parent 3-quinuclidinol (CHEBI:115239)
aclidinium (CHEBI:65346) has role bronchodilator agent (CHEBI:35523)
aclidinium (CHEBI:65346) has role muscarinic antagonist (CHEBI:48876)
aclidinium (CHEBI:65346) is a aromatic ether (CHEBI:35618)
aclidinium (CHEBI:65346) is a carboxylic ester (CHEBI:33308)
aclidinium (CHEBI:65346) is a quaternary ammonium ion (CHEBI:35267)
aclidinium (CHEBI:65346) is a thiophenes (CHEBI:26961)
Incoming aclidinium bromide (CHEBI:65344) has part aclidinium (CHEBI:65346)
IUPAC Name
(3R)-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane
Manual Xref Database
4484 DrugCentral
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Citations Waiting for Citations Types Sources
20525722 PubMed citation Europe PMC
21628603 PubMed citation Europe PMC
Last Modified
22 February 2017