aclidinium bromide (CHEBI:65344)

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CHEBI:65344 - aclidinium bromide

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ChEBI ID	CHEBI:65344
ChEBI Name	aclidinium bromide
Stars
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).
Last Modified	27 July 2012
Submitter	Steve
Downloads	Molfile

Formula	Br.C26H30NO4S2
Net Charge	0
Average Mass	564.567
Monoisotopic Mass	563.07996
SMILES	O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]
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

Wikipedia

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 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
D08837	KEGG DRUG
US2005267078	Patent
Aclidinium_bromide	Wikipedia

Registry Numbers	Sources
Reaxys:11340576	Reaxys
CAS:320345-99-1	ChemIDplus

Citations