CHEBI:75039 - vilanterol(1+)

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ChEBI Name vilanterol(1+)
ChEBI ID CHEBI:75039
Definition An organic cation that is the conjugate acid of vilanterol, obtained by protonation of the secondary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H34Cl2NO5
Net Charge +1
Average Mass 487.43600
Monoisotopic Mass 486.18086
InChI InChI=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
InChIKey DAFYYTQWSAWIGS-DEOSSOPVSA-O
SMILES OCc1cc(ccc1O)[C@@H](O)C[NH2+]CCCCCCOCCOCc1c(Cl)cccc1Cl
ChEBI Ontology
Outgoing 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 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 cation ChEBI
Last Modified
06 September 2013