CHEBI:68575 - indacaterol

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ChEBI Name indacaterol
ChEBI ID CHEBI:68575
Definition A monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H28N2O3
Net Charge 0
Average Mass 392.49070
Monoisotopic Mass 392.210
InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKey QZZUEBNBZAPZLX-QFIPXVFZSA-N
SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Roles Classification
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 indacaterol (CHEBI:68575) has role β-adrenergic agonist (CHEBI:35522)
indacaterol (CHEBI:68575) has role bronchodilator agent (CHEBI:35523)
indacaterol (CHEBI:68575) is a indanes (CHEBI:46940)
indacaterol (CHEBI:68575) is a monohydroxyquinoline (CHEBI:38775)
indacaterol (CHEBI:68575) is a quinolone (CHEBI:23765)
indacaterol (CHEBI:68575) is a secondary alcohol (CHEBI:35681)
indacaterol (CHEBI:68575) is a secondary amino compound (CHEBI:50995)
indacaterol (CHEBI:68575) is conjugate base of indacaterol(1+) (CHEBI:68574)
Incoming indacaterol(1+) (CHEBI:68574) is conjugate acid of indacaterol (CHEBI:68575)
IUPAC Name
5-{(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one
INN Source
indacaterol KEGG DRUG
Synonyms Sources
5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one ChemIDplus
QAB 149 ChemIDplus
QAB-149 ChemIDplus
QAB149 ChemIDplus
Database Links Databases
4183 DrugCentral
D09318 KEGG DRUG
DB05039 DrugBank
HMDB0015608 HMDB
Indacaterol Wikipedia
WO2005123684 Patent
WO2006128675 Patent
WO2010114472 Patent
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Registry Numbers Types Sources
10392427 Reaxys Registry Number Reaxys
312753-06-3 CAS Registry Number KEGG DRUG
312753-06-3 CAS Registry Number ChemIDplus
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Last Modified
22 February 2017