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CHEBI:68575 - indacaterol

Default Structure
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:
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.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
ChEBI Ontology
Outgoing Relation(s)
indacaterol (CHEBI:68575) has role anti-asthmatic agent (CHEBI:65023)
indacaterol (CHEBI:68575) has role bronchodilator agent (CHEBI:35523)
indacaterol (CHEBI:68575) has role cardiovascular drug (CHEBI:35554)
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
5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-oneChemIDplus
IndacterolChEMBL
OnbrezChEMBL
QAB 149ChemIDplus
QAB-149ChemIDplus
QAB149ChemIDplus
Manual XrefsDatabases
4183DrugCentral
D09318KEGG DRUG
DB05039DrugBank
HMDB0015608HMDB
IndacaterolWikipedia
WO2005123684Patent
WO2006128675Patent
WO2010114472Patent
Registry NumbersSources
Reaxys:10392427Reaxys
CAS:312753-06-3KEGG DRUG
CAS:312753-06-3ChemIDplus
Citations