CHEBI:82700 - olodaterol

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ChEBI Name olodaterol ChEBI ID CHEBI:82700 Definition A member of the class of benzoxazine that is 6-hydroxy-1,4-benzoxazin-3-one in which the hydrogen at position 4 is replaced by a (1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl group. Used (as its hydrochloride salt) for long-term treatment of airflow obstruction in patients with chronic obstructive pulmonary disease including chronic bronchitis and/or emphysema. Stars This entity has been manually annotated by the ChEBI Team. Submitter Toni Morrison 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 C21H26N2O5 Net Charge 0 Average Mass 386.44150 Monoisotopic Mass 386.18417 InChI InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1 InChIKey COUYJEVMBVSIHV-SFHVURJKSA-N SMILES COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 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. 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 olodaterol (CHEBI:82700) has role β-adrenergic agonist (CHEBI:35522) olodaterol (CHEBI:82700) has role bronchodilator agent (CHEBI:35523) olodaterol (CHEBI:82700) is a aromatic ether (CHEBI:35618) olodaterol (CHEBI:82700) is a benzoxazine (CHEBI:46969) olodaterol (CHEBI:82700) is a phenols (CHEBI:33853) olodaterol (CHEBI:82700) is a secondary alcohol (CHEBI:35681) olodaterol (CHEBI:82700) is a secondary amino compound (CHEBI:50995) olodaterol (CHEBI:82700) is conjugate base of olodaterol(1+) (CHEBI:83312) Incoming olodaterol(1+) (CHEBI:83312) is conjugate acid of olodaterol (CHEBI:82700) IUPAC Name 6-hydroxy-8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-2H-1,4-benzoxazin-3(4H)-one INN Source olodaterol KEGG DRUG Synonym Source BI 1744 ChemIDplus Manual Xrefs Databases 4814 DrugCentral D10145 KEGG DRUG Olodaterol Wikipedia View more database links Registry Numbers Types Sources 12431799 Reaxys Registry Number Reaxys 868049-49-4 CAS Registry Number ChemIDplus Citations Types Sources 20096576 PubMed citation Europe PMC 20371707 PubMed citation Europe PMC 21839850 PubMed citation Europe PMC 24158691 PubMed citation Europe PMC 24247039 PubMed citation Europe PMC 24269928 PubMed citation Europe PMC 24307202 PubMed citation Europe PMC 24966672 PubMed citation Europe PMC 25045258 PubMed citation Europe PMC 25114521 PubMed citation Europe PMC 25187881 PubMed citation Europe PMC Last Modified 22 February 2017