Indacaterol maleateProduct ingredient forIndacaterol
- Name
- Indacaterol maleate
- 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
- DBSALT000101
- Structure
-
Structure for Indacaterol maleate (DBSALT000101)
- Synonyms
- Not Available
- UNII
- 2JEC1ITX7R
- CAS Number
- 753498-25-8
- Weight
-
Average: 508.5629
Monoisotopic: 508.220951388 - Chemical Formula
- C28H32N2O7
- InChI Key
- IREJFXIHXRZFER-PCBAQXHCSA-N
- 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
- IUPAC Name
-
(2Z)-but-2-enedioic acid; 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]quinoline-2,8-diol
- SMILES
-
[H]\C(=C(/[H])C(O)=O)C(O)=O.[H][C@](O)(CNC1CC2=C(C1)C=C(CC)C(CC)=C2)C1=C2C=CC(O)=NC2=C(O)C=C1
- External Links
-
- PubChem Compound
- 9827599
- ChemSpider
- 8003340
- ChEBI
- 68573
- ChEMBL
- CHEMBL1789842
- Predicted Properties
-
Property Value Source Water Solubility 0.00795 mg/mL ALOGPS logP 3.9 ALOGPS logP 4.05 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 8.54 Chemaxon pKa (Strongest Basic) 9.83 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 85.61 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 115.1 m3·mol-1 Chemaxon Polarizability 44.99 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon
