olodaterol (CHEBI:82700)

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CHEBI:82700 - olodaterol

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ChEBI ID	CHEBI:82700
ChEBI Name	olodaterol
Stars
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.
Last Modified	22 February 2017
Submitter	tmorrison
Downloads	Molfile

Formula	C21H26N2O5
Net Charge	0
Average Mass	386.448
Monoisotopic Mass	386.18417
SMILES	COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1
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

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.
Applications:	beta-adrenergic agonist An agent that selectively binds to and activates β-adrenergic receptors. bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes.

ChEBI Ontology

Outgoing Relation(s)
	olodaterol (CHEBI:82700) has role bronchodilator agent (CHEBI:35523)
	olodaterol (CHEBI:82700) has role β-adrenergic agonist (CHEBI:35522)
	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 Relation(s)
Incoming Relation(s)	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
D10145	KEGG DRUG
Olodaterol	Wikipedia
4814	DrugCentral

Registry Numbers	Sources
Reaxys:12431799	Reaxys
CAS:868049-49-4	ChemIDplus

Citations