Indacaterol acetateProduct ingredient for Indacaterol
- Name
- Indacaterol acetate
- Drug Entry
- Indacaterol
Indacaterol is a novel, ultra-long-acting, rapid onset β(2)-adrenoceptor agonist developed for Novartis for the once-daily management of asthma and chronic obstructive pulmonary disease. It was approved by the European Medicines Agency (EMA) on 30 November 2009 and by the FDA on 1 July 2011. It is marketed in Europe as Onbrez and in America as Arcapta Neohaler. Indacaterol is provided as its maleate salt form. Indacaterol is also a chiral molecule but only the pure R-enantiomer is dispensed.
- Accession Number
- DBSALT003032
- Structure
Structure for Indacaterol acetate (DBSALT003032)
- Synonyms
- Not Available
- UNII
- RYI4401DTM
- CAS Number
- 1000160-96-2
- Weight
- Average: 452.551
Monoisotopic: 452.231122138 - Chemical Formula
- C26H32N2O5
- InChI Key
- HZHXFIDENGBQFQ-FTBISJDPSA-N
- InChI
- InChI=1S/C24H28N2O3.C2H4O2/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;1-2(3)4/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1H3,(H,3,4)/t22-;/m0./s1
- IUPAC Name
- 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one; acetic acid
- SMILES
- CC(O)=O.[H][C@](O)(CNC1CC2=C(C1)C=C(CC)C(CC)=C2)C1=CC=C(O)C2=C1C=CC(=O)N2
- External Links
- ChemSpider
- 32700954
- ChEMBL
- CHEMBL4297657
- Predicted Properties
Property Value Source Water Solubility 0.00798 mg/mL ALOGPS logP 3.31 ALOGPS logP 3.26 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 8.51 Chemaxon pKa (Strongest Basic) 9.71 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 81.59 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 118.1 m3·mol-1 Chemaxon Polarizability 44.94 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon