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CHEBI:68575 - indacaterol

ChEBI IDCHEBI:68575
ChEBI Nameindacaterol
Stars
DefinitionA 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.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC24H28N2O3
Net Charge0
Average Mass392.499
Monoisotopic Mass392.20999
SMILESCCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3nc(=O)ccc13)C2
InChIInChI=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
InChIKeyQZZUEBNBZAPZLX-QFIPXVFZSA-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:
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
ChEBI Ontology
Outgoing Relation(s)
indacaterol (CHEBI:68575) has role bronchodilator agent (CHEBI:35523)
indacaterol (CHEBI:68575) has role β-adrenergic agonist (CHEBI:35522)
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 Relation(s)
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
indacaterolKEGG DRUG
Synonyms  Source
QAB-149ChemIDplus
QAB149ChemIDplus
5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-oneChemIDplus
QAB 149ChemIDplus
Manual XrefsDatabases
D09318KEGG DRUG
DB05039DrugBank
HMDB0015608HMDB
WO2010114472Patent
WO2006128675Patent
WO2005123684Patent
IndacaterolWikipedia
4183DrugCentral
Registry NumbersSources
Reaxys:10392427Reaxys
CAS:312753-06-3KEGG DRUG
CAS:312753-06-3ChemIDplus
Citations