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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Molfile
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
-
{(2
R
)-
2-
hydroxy-
2-
[4-
hydroxy-
3-
(hydroxymethyl)phenyl]ethyl}hexan-
1-
aminium
Synonym
Source
vilanterol cation
ChEBI
Last Modified
06 September 2013