CHEBI:68573 - indacaterol maleate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name indacaterol maleate
Definition A maleate salt obtained by reaction of indacaterol with one equivalent of maleic acid. Used for treatment of chronic obstructive pulmonary disease.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C28H32N2O7
Net Charge 0
Average Mass 508.56290
Monoisotopic Mass 508.22095
InChI InChI=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
SMILES OC(=O)\C=C/C(O)=O.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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing indacaterol maleate (CHEBI:68573) has part indacaterol(1+) (CHEBI:68574)
indacaterol maleate (CHEBI:68573) has role β-adrenergic agonist (CHEBI:35522)
indacaterol maleate (CHEBI:68573) has role bronchodilator agent (CHEBI:35523)
indacaterol maleate (CHEBI:68573) is a maleate salt (CHEBI:50221)
Incoming Utibron Neohaler (CHEBI:90962) has part indacaterol maleate (CHEBI:68573)
5,6-diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]indan-2-aminium (2Z)-3-carboxyacrylate
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
Brand Name Source
Arcapta neohaler KEGG DRUG
Manual Xrefs Databases
DB05039 DrugBank
HMDB0015608 HMDB
WO2004076422 Patent
WO2004087668 Patent
WO2005110402 Patent
WO2005123684 Patent
WO2008025816 Patent
View more database links
Registry Numbers Types Sources
12070553 Reaxys Registry Number Reaxys
753498-25-8 CAS Registry Number ChemIDplus
753498-25-8 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
19907722 PubMed citation Europe PMC
20642373 PubMed citation Europe PMC
21225012 PubMed citation Europe PMC
21896467 PubMed citation Europe PMC
22538621 PubMed citation Europe PMC
22605898 PubMed citation Europe PMC
22790232 PubMed citation Europe PMC
Last Modified
15 January 2016