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CHEBI:75039 - vilanterol(1+)

ChEBI IDCHEBI:75039
ChEBI Namevilanterol(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of vilanterol, obtained by protonation of the secondary amino group.
Last Modified6 September 2013
SubmitterSteve
DownloadsMolfile
FormulaC24H34Cl2NO5
Net Charge+1
Average Mass487.444
Monoisotopic Mass486.18085
SMILESOCc1cc([C@@H](O)C[NH2+]CCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O
InChIInChI=1S/C24H33Cl2NO5/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/h5-9,14,24,27-30H,1-4,10-13,15-17H2/p+1/t24-/m0/s1
InChIKeyDAFYYTQWSAWIGS-DEOSSOPVSA-O
ChEBI Ontology
Outgoing Relation(s)
vilanterol(1+) (CHEBI:75039) is a ammonium ion derivative (CHEBI:35274)
vilanterol(1+) (CHEBI:75039) is a organic cation (CHEBI:25697)
vilanterol(1+) (CHEBI:75039) is conjugate acid of vilanterol (CHEBI:75037)
Incoming Relation(s)
vilanterol trifenate (CHEBI:75040) has part vilanterol(1+) (CHEBI:75039)
vilanterol (CHEBI:75037) is conjugate base of vilanterol(1+) (CHEBI:75039)
IUPAC Name 
6-{2-[(2,6-dichlorobenzyl)oxy]ethoxy}-N-{(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}hexan-1-aminium
Synonym  Source
vilanterol cationChEBI