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CHEBI:75040 - vilanterol trifenate

ChEBI IDCHEBI:75040
ChEBI Namevilanterol trifenate
Stars
DefinitionA triphenylacetate salt obtained by combining vilanterol with one equivalent of triphenylacetic acid. Used in combination with fluticasone furoate for treatment of bronchospasm associated with chronic obstructive pulmonary disease.
Last Modified6 September 2013
SubmitterSteve
DownloadsMolfile
FormulaC20H16O2.C24H33Cl2NO5
Net Charge0
Average Mass774.782
Monoisotopic Mass773.28861
SMILESO=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O
InChIInChI=1S/C24H33Cl2NO5.C20H16O2/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28;21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h5-9,14,24,27-30H,1-4,10-13,15-17H2;1-15H,(H,21,22)/t24-;/m0./s1
InChIKeyKLOLZALDXGTNQE-JIDHJSLPSA-N
Roles Classification
Biological Role:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
Applications:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
ChEBI Ontology
Outgoing Relation(s)
vilanterol trifenate (CHEBI:75040) has part vilanterol(1+) (CHEBI:75039)
vilanterol trifenate (CHEBI:75040) has role bronchodilator agent (CHEBI:35523)
vilanterol trifenate (CHEBI:75040) has role β-adrenergic agonist (CHEBI:35522)
vilanterol trifenate (CHEBI:75040) is a triphenylacetate salt (CHEBI:75042)
Incoming Relation(s)
Breo Ellipta (CHEBI:75043) has part vilanterol trifenate (CHEBI:75040)
IUPAC Names 
4-{(1R)-2-[(6-{2-[(2,6-dichlorobenzyl)oxy]ethoxy}hexyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol triphenylacetate
6-{2-[(2,6-dichlorobenzyl)oxy]ethoxy}-N-{(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}hexan-1-aminium triphenylacetate
Synonyms  Source
vilanterol triphenylacetateChEBI
GW 642444MChemIDplus
GW642444MChemIDplus
Manual XrefsDatabases
D09697KEGG DRUG
Registry NumbersSources
Reaxys:20449900Reaxys
CAS:503070-58-4ChemIDplus
Citations