Indacaterol

C₂₄H₂₈N₂O₃CAS 312753-06-3392.50 g/mol

Open in Covalent MOL file

Alcohol Phenol Secondary amine

Properties

Molecular formula: C₂₄H₂₈N₂O₃
Molar mass: 392.50 g/mol
Exact mass: 392.2100 Da
logP: 3.56Crippen estimate
Polar surface area: 85.6 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

312753-06-3

SMILES

CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3nc(O)ccc13)C2

InChIKey

QZZUEBNBZAPZLX-QFIPXVFZSA-N

InChI

InChI=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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

2(1H)-Quinolinone, 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-
5-[(1R)-2-[(5,6-Diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone
QAB 149

Work with Indacaterol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Indacaterol maleate753498-25-853 % similar Procaterol72332-33-348 % similar Procaterol hydrochloride62929-91-346 % similar (R)-8-(Benzyloxy)-5-(2-((5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)quinolin-2(1H)-one435273-75-946 % similar 5-((1R)-2-Bromo-1-hydroxyethyl)-8-phenylmethoxy-1H-quinolin-2-one530084-79-836 % similar (+-)-Isoproterenol hydrochloride51-30-932 % similar Levisoprenaline hydrochloride5984-95-232 % similar (±)-Isoproterenol hydrochloride949-36-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Naftopidil57149-07-2 Ivacaftor873054-44-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook