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CHEBI:65346 - aclidinium

ChEBI IDCHEBI:65346
ChEBI Nameaclidinium
Stars
DefinitionA 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).
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC26H30NO4S2
Net Charge+1
Average Mass484.663
Monoisotopic Mass484.16108
SMILESO=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1
InChIInChI=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
InChIKeyASMXXROZKSBQIH-VITNCHFBSA-N
Roles Classification
Biological Role:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Applications:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
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Citations