Compound: Indacaterol
SMILES: O=c1[nH]c2c(O)ccc(c2cc1)[C@@H](O)CNC3Cc4cc(CC)c(cc4C3)CC
InChIKey: QZZUEBNBZAPZLX-QFIPXVFZSA-N
Synonyms: Indacaterol, 312753-06-3, Onbrez, QAB-149, QAB149, QAB 149, Indacterol, 8OR09251MQ, 5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one, QABI49, 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one, CHEBI:68575, DTXSID90185198, 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one, 5-{(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one, indacaterolum, 5-((1R)-2-((5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)-8-hydroxy-1,2-dihydroquinolin-2-one, 5-((1R)-2-((5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one, 5-((1R)-2-((5,6-Diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one, 5-{(1R)-2-((5,6-Diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one, RefChem:790882, DTXCID00107689, R03AC18, Arcapta, MFCD18782702, UNII-8OR09251MQ, Indacaterol [USAN:INN:BAN], CHEMBL1095777, 5-[(1r)-2-[(5,6-diethyl-2,3-dihydro-1h-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-2(1h)-quinolinone, (R)-5-(2-(5,6-diethyl-2,3-dihydro-1H-inden-2-ylamino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one, Indacaterol [INN], Indacaterol (USAN/INN), 312753-06-3 (free base), Indacaterol (Standard), INDACATEROL [MI], INDACATEROL [USAN], INDACATEROL [VANDF], INDACATEROL [MART.], SCHEMBL48098, INDACATEROL [WHO-DD], GTPL7455, orb1305700, SCHEMBL29350045, SCHEMBL29367297, QZZUEBNBZAPZLX-QFIPXVFZSA-N, GLXC-90393, HMS3886I14, EX-A6067, MSK10570, BDBM50318159, EBC-26923, HY-14299R, s5654, AKOS024463516, CCG-268560, CS-0744, DB05039, 5-[(1R)-2-[(5,6-diethylindan-2-yl)amino]-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one, NCGC00386216-07, (R)-5-[2-[(5,6-Diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxyquinolin-2(1H)-one, AC-27668, AS-56318, HY-14299, NS00005616, D09318, AB01565805_02, EN300-20321622, Q425654, BRD-K89208535-051-01-5, (R)-5-[2-(5,6-diethyl-indan-2-ylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one, 5-[(r)-2-(5,6-diethyl-indan-2-ylamino)-1-hydroxy-ethyl]-8-hydroxy-1h-quinolin-2-one, 8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-ylamino)-ethyl]-1H-quinolin-2-one
Theoretical properties:
molecular_formula: C24H28N2O3
molecular_weight: 392.5 g/mol
exact_mass: 392.20999276 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 6
heavy_atom_count: 29
topological_polar_surface_area: 81.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 195-202°C with decomposition
solubility: 7.98e-03 g/L
Descriptions:
pubchem: 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+).
chebi: A monohydroxyquinoline that consists of 5-[(1<i>R</i>)-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.
chembl: INDACATEROL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Indacaterol is an ultra-long-acting beta-adrenoceptor agonist developed by Novartis. It needs to be taken only once a day, unlike the related drugs formoterol and salmeterol. It is licensed only for the treatment of chronic obstructive pulmonary disease (COPD) (long-term data in patients with asthma are thus far lacking).  It is delivered through a dry powder inhaler.