CHEBI:142077 - abediterol

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ChEBI Name abediterol ChEBI ID CHEBI:142077 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Bijay Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C25H30F2N2O4 Net Charge 0 Average Mass 460.514 Monoisotopic Mass 460.21736 InChI InChI=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 InChIKey SFYAXIFVXBKRPK-QFIPXVFZSA-N SMILES C1=CC=CC(=C1)C(COCCCCCCNC[C@@H](C2=CC=C(C3=C2C=CC(N3)=O)O)O)(F)F Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted 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. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources abéditérol WHO MedNet abediterol WHO MedNet abediterolum WHO MedNet Synonyms Sources 5-[(1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one DrugBank LAS100977 DrugBank Manual Xrefs Databases Abediterol Wikipedia D10219 KEGG DRUG DB12100 DrugBank WO2006122788 Patent View more database links Registry Numbers Types Sources 12781197 Reaxys Registry Number Reaxys 915133-65-2 CAS Registry Number ChemIDplus Citations Types Sources 22588259 PubMed citation Europe PMC 24989946 PubMed citation Europe PMC 25256258 PubMed citation Europe PMC 25398689 PubMed citation Europe PMC 26656755 PubMed citation Europe PMC 27439370 PubMed citation Europe PMC 28971615 PubMed citation Europe PMC 29183838 PubMed citation Europe PMC Last Modified 04 September 2018