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
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Formula C21H26N2O5
Net Charge 0
Average Mass 386.44150
Monoisotopic Mass 386.184
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.
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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
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Registry Numbers Types Sources
12431799 Reaxys Registry Number Reaxys
868049-49-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20096576 PubMed citation Europe PMC
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Last Modified
22 February 2017