CHEBI:65344 - aclidinium bromide

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ChEBI Name aclidinium bromide
ChEBI ID CHEBI:65344
Definition A quaternary ammonium salt that is the bromide salt of aclidinium. A muscarinic acetylcholine M3 receptor antagonist, 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.
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Formula C26H30BrNO4S2
Net Charge 0
Average Mass 564.55500
Monoisotopic Mass 563.080
InChI InChI=1S/C26H30NO4S2.BrH/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;1H/q+1;/p-1/t20?,22-,27?;/m0./s1
InChIKey XLAKJQPTOJHYDR-QTQXQZBYSA-M
SMILES [Br-].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): muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
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ChEBI Ontology
Outgoing aclidinium bromide (CHEBI:65344) has part aclidinium (CHEBI:65346)
aclidinium bromide (CHEBI:65344) has role bronchodilator agent (CHEBI:35523)
aclidinium bromide (CHEBI:65344) has role muscarinic antagonist (CHEBI:48876)
aclidinium bromide (CHEBI:65344) is a organic bromide salt (CHEBI:48369)
aclidinium bromide (CHEBI:65344) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name
(3R)-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide
INN Source
aclidinium bromide KEGG DRUG
Synonym Source
LAS 34273 ChemIDplus
Brand Name Source
Tudorza Pressair ChemIDplus
Manual Xrefs Databases
Aclidinium_bromide Wikipedia
D08837 KEGG DRUG
US2005267078 Patent
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Registry Numbers Types Sources
11340576 Reaxys Registry Number Reaxys
320345-99-1 CAS Registry Number ChemIDplus
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Last Modified
27 July 2012