Procaterol hydrochloride hemihydrateProduct ingredient for Procaterol
- Name
- Procaterol hydrochloride hemihydrate
- Drug Entry
- Procaterol
A long-acting beta-2-adrenergic receptor agonist. It is a potent bronchodilator that may be administered orally or by aerosol inhalation.
- Accession Number
- DBSALT001184
- Structure
- Synonyms
- Not Available
- UNII
- 8404I5HKFJ
- CAS Number
- 81262-93-3
- Weight
- Average: 671.66
Monoisotopic: 670.2900053 - Chemical Formula
- C32H48Cl2N4O7
- InChI Key
- RZKAQAPBCFPJTK-GOPHCVLGSA-N
- InChI
- InChI=1S/2C16H22N2O3.2ClH.H2O/c2*1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;;;/h2*5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);2*1H;1H2/t2*12-,16+;;;/m11.../s1
- IUPAC Name
- bis(8-hydroxy-5-[(1S,2R)-1-hydroxy-2-[(propan-2-yl)amino]butyl]-1,2-dihydroquinolin-2-one) hydrate dihydrochloride
- SMILES
- O.Cl.Cl.CC[C@@H](NC(C)C)[C@@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1.CC[C@@H](NC(C)C)[C@@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
- External Links
- ChemSpider
- 30791856
- Predicted Properties
Property Value Source Water Solubility 0.329 mg/mL ALOGPS logP 1.28 ALOGPS logP 0.88 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 8.52 Chemaxon pKa (Strongest Basic) 9.88 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 10 Chemaxon Refractivity 84.58 m3·mol-1 Chemaxon Polarizability 31.42 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