CHEBI:79040 - umeclidinium bromide

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ChEBI Name umeclidinium bromide
ChEBI ID CHEBI:79040
Definition A quaternary ammonium salt that is the bromide salt of umeclidinium. Used in combination with vilanterol for long-term maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C29H34BrNO2
Net Charge 0
Average Mass 508.49000
Monoisotopic Mass 507.177
InChI InChI=1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1/t28-,30+;
InChIKey PEJHHXHHNGORMP-AVADPIKZSA-M
SMILES [Br-].OC(c1ccccc1)(c1ccccc1)[C@]12CC[N@+](CCOCc3ccccc3)(CC1)CC2
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.
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ChEBI Ontology
Outgoing umeclidinium bromide (CHEBI:79040) has part umeclidinium (CHEBI:79041)
umeclidinium bromide (CHEBI:79040) has role muscarinic antagonist (CHEBI:48876)
umeclidinium bromide (CHEBI:79040) is a organic bromide salt (CHEBI:48369)
umeclidinium bromide (CHEBI:79040) is a quaternary ammonium salt (CHEBI:35273)
Incoming Anoro Ellipta (CHEBI:79039) has part umeclidinium bromide (CHEBI:79040)
IUPAC Name
1-[2-(benzyloxy)ethyl]-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide
INNs Sources
bromure d'uméclidinium WHO MedNet
bromuro de umeclidinio WHO MedNet
umeclidinii bromidum WHO MedNet
umeclidinium bromide WHO MedNet
Synonyms Sources
GSK-573719 ChemIDplus
GSK573719A ChemIDplus
Manual Xrefs Databases
D10181 KEGG DRUG
Umeclidinium_bromide Wikipedia
US2007185155 Patent
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Registry Numbers Types Sources
12927716 Reaxys Registry Number Reaxys
869113-09-7 CAS Registry Number ChemIDplus
869113-09-7 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
24004659 PubMed citation Europe PMC
24909949 PubMed citation Europe PMC
24958974 PubMed citation Europe PMC
Last Modified
09 July 2014