Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:75037 - vilanterol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
vilanterol
ChEBI ID
CHEBI:75037
Definition
An dichlorobenzene derivative that is used in the form of its trifenate salt for treatment of chronic obstructive pulmonary disease.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Molfile
Wikipedia
License
Read full article at Wikipedia
Formula
C24H33Cl2NO5
Net Charge
0
Average Mass
486.42900
Monoisotopic Mass
485.17358
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/t24-
/m0/s1
InChIKey
DAFYYTQWSAWIGS-DEOSSOPVSA-N
SMILES
OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
beta-adrenergic agonist
An agent that selectively binds to and activates
beta
-adrenergic receptors.
Application
(s):
beta-adrenergic agonist
An agent that selectively binds to and activates
beta
-adrenergic receptors.
bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
vilanterol (
CHEBI:75037
)
has role
β-adrenergic agonist (
CHEBI:35522
)
vilanterol (
CHEBI:75037
)
has role
bronchodilator agent (
CHEBI:35523
)
vilanterol (
CHEBI:75037
)
is a
benzyl alcohols (
CHEBI:22743
)
vilanterol (
CHEBI:75037
)
is a
dichlorobenzene (
CHEBI:23697
)
vilanterol (
CHEBI:75037
)
is a
ether (
CHEBI:25698
)
vilanterol (
CHEBI:75037
)
is a
phenols (
CHEBI:33853
)
vilanterol (
CHEBI:75037
)
is a
secondary amino compound (
CHEBI:50995
)
vilanterol (
CHEBI:75037
)
is conjugate base of
vilanterol(1+) (
CHEBI:75039
)
Incoming
Anoro Ellipta (
CHEBI:79039
)
has part
vilanterol (
CHEBI:75037
)
vilanterol(1+) (
CHEBI:75039
)
is conjugate acid of
vilanterol (
CHEBI:75037
)
IUPAC Name
4-
{(1
R
)-
2-
[(6-
{2-
[(2,6-
dichlorobenzyl)oxy]ethoxy}hexyl)amino]-
1-
hydroxyethyl}-
2-
(hydroxymethyl)phenol
INNs
Sources
vilantérol
WHO MedNet
vilanterol
WHO MedNet
vilanterol
ChemIDplus
vilanterolum
WHO MedNet
Synonyms
Sources
GW-642444x
ChemIDplus
GW642444x
ChemIDplus
Manual Xrefs
Databases
4799
DrugCentral
D09696
KEGG DRUG
Vilanterol
Wikipedia
View more database links
Registry Numbers
Types
Sources
11820500
Reaxys Registry Number
Reaxys
503068-34-6
CAS Registry Number
KEGG DRUG
503068-34-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22241764
PubMed citation
Europe PMC
22955035
PubMed citation
Europe PMC
23043183
PubMed citation
Europe PMC
23284643
PubMed citation
Europe PMC
23348973
PubMed citation
Europe PMC
23569370
PubMed citation
Europe PMC
23830094
PubMed citation
Europe PMC
Last Modified
22 February 2017