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:	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.

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