EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79040 - umeclidinium bromide

ChEBI IDCHEBI:79040
ChEBI Nameumeclidinium bromide
Stars
DefinitionA 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.
Last Modified9 July 2014
SubmitterSteve
DownloadsMolfile
FormulaBr.C29H34NO2
Net Charge0
Average Mass508.500
Monoisotopic Mass507.17729
SMILESOC(c1ccccc1)(c1ccccc1)[C@]12CC[N@+](CCOCc3ccccc3)(CC1)CC2.[Br-]
InChIInChI=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+;
InChIKeyPEJHHXHHNGORMP-AVADPIKZSA-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.
Application:
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)
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 Relation(s)
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  Source
bromuro de umeclidinioWHO MedNet
bromure d'uméclidiniumWHO MedNet
umeclidinii bromidumWHO MedNet
umeclidinium bromideWHO MedNet
Synonyms  Source
GSK573719AChemIDplus
GSK-573719ChemIDplus
Manual XrefsDatabases
D10181KEGG DRUG
US2007185155Patent
Umeclidinium_bromideWikipedia
Registry NumbersSources
Reaxys:12927716Reaxys
CAS:869113-09-7KEGG DRUG
CAS:869113-09-7ChemIDplus
Citations