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CHEBI:68573 - indacaterol maleate

Default Structure
ChEBI IDCHEBI:68573
ChEBI Nameindacaterol maleate
Stars
DefinitionA maleate salt obtained by reaction of indacaterol with one equivalent of maleic acid. Used for treatment of chronic obstructive pulmonary disease.
Last Modified15 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC24H28N2O3.C4H4O4
Net Charge0
Average Mass508.571
Monoisotopic Mass508.22095
SMILESCCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3nc(=O)ccc13)C2.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C24H28N2O3.C4H4O4/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;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-;/m0./s1
InChIKeyIREJFXIHXRZFER-PCBAQXHCSA-N
Roles Classification
Biological Role:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
Applications:
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
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)
indacaterol maleate (CHEBI:68573) has part indacaterol(1+) (CHEBI:68574)
indacaterol maleate (CHEBI:68573) has role anti-asthmatic agent (CHEBI:65023)
indacaterol maleate (CHEBI:68573) has role bronchodilator agent (CHEBI:35523)
indacaterol maleate (CHEBI:68573) has role β-adrenergic agonist (CHEBI:35522)
indacaterol maleate (CHEBI:68573) is a maleate salt (CHEBI:50221)
Incoming Relation(s)
Utibron Neohaler (CHEBI:90962) has part indacaterol maleate (CHEBI:68573)
IUPAC Names 
5-{(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one (2Z)-but-2-enedioate
5,6-diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]indan-2-aminium (2Z)-3-carboxyacrylate
Synonyms  Source
Indacaterol (as maleate)ChEMBL
Indacterol maleateChEMBL
QAB-149-AFAChEMBL
QAB149-AFAChEMBL
Brand Names  Source
Arcapta neohalerKEGG DRUG
Hirobriz breezhalerChEMBL
Indacaterol maleate component of qva-149ChEMBL
Indacaterol maleate component of qva149ChEMBL
Indacaterol maleate component of ultibroChEMBL
Indacaterol maleate component of utibronChEMBL
Manual XrefsDatabases
D09319KEGG DRUG
DB05039DrugBank
HMDB0015608HMDB
WO2004076422Patent
WO2004087668Patent
WO2005110402Patent
WO2005123684Patent
WO2008025816Patent
Registry NumbersSources
Reaxys:12070553Reaxys
CAS:753498-25-8KEGG DRUG
CAS:753498-25-8ChemIDplus
Citations