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CHEBI:142077 - abediterol

ChEBI IDCHEBI:142077
ChEBI Nameabediterol
Stars
DefinitionA quinolone that is 8-hydroxyquinolin-2(1H)-one which carries a 2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl group at position 5. It is a long acting β2-adrenoceptor agonist currently in development for the treatment of chronic obstructive pulmonary disease (COPD) and asthma.
Last Modified4 September 2018
SubmitterBijay
DownloadsMolfile
FormulaC25H30F2N2O4
Net Charge0
Average Mass460.521
Monoisotopic Mass460.21736
SMILESO=c1ccc2c([C@@H](O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2n1
InChIInChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1
InChIKeySFYAXIFVXBKRPK-QFIPXVFZSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
Application:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
ChEBI Ontology
Outgoing Relation(s)
abediterol (CHEBI:142077) has role β-adrenergic agonist (CHEBI:35522)
abediterol (CHEBI:142077) is a ether (CHEBI:25698)
abediterol (CHEBI:142077) is a monohydroxyquinoline (CHEBI:38775)
abediterol (CHEBI:142077) is a organofluorine compound (CHEBI:37143)
abediterol (CHEBI:142077) is a quinolone (CHEBI:23765)
abediterol (CHEBI:142077) is a secondary alcohol (CHEBI:35681)
abediterol (CHEBI:142077) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
5-[(1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxyquinolin-2(1H)-one
INNs  Source
abediterolWHO MedNet
abediterolumWHO MedNet
abéditérolWHO MedNet
Synonyms  Source
LAS100977DrugBank
5-[(1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-oneDrugBank
Manual XrefsDatabases
AbediterolWikipedia
D10219KEGG DRUG
DB12100DrugBank
WO2006122788Patent
Registry NumbersSources
Reaxys:12781197Reaxys
CAS:915133-65-2ChemIDplus
Citations