Indacaterol
5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
Molecular Identity
Indacaterol
5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID: 6918554
Indacaterol is 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. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It is a quinolone, a secondary alcohol, a monohydroxyquinoline, a member of indanes and a secondary amino compound. It is a conjugate base of an indacaterol(1+).
2D Structure
Properties
C24H28N2O3
Molecular Formula
392.50
Molecular Weight
g/mol
392.2100
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
81.6
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
589
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Indacaterol312753-06-3OnbrezQAB-149QAB149QAB 149Indacterol8OR09251MQ5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-oneQABI495-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-oneCHEBI:68575DTXSID901851985-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one5-{(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one
Data from PubChem (NCBI)
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Drug Network
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