Procaterol hydrochlorideProduct ingredient for Procaterol

Name
Procaterol hydrochloride
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
DBSALT003145
Structure
Synonyms
Procaterol HCl / Procaterol hydrochloride anhydrous
UNII
4VD1BRT7T8
CAS Number
62929-91-3
Weight
Average: 326.82
Monoisotopic: 326.1397203
Chemical Formula
C16H23ClN2O3
InChI Key
AEQDBKHAAWUCMT-KKJWGQAZSA-N
InChI
InChI=1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H/t12-,16+;/m1./s1
IUPAC Name
8-hydroxy-5-[(1S,2R)-1-hydroxy-2-[(propan-2-yl)amino]butyl]-1,2-dihydroquinolin-2-one hydrochloride
SMILES
Cl.CC[C@@H](NC(C)C)[C@@H](O)C1=CC=C(O)C2=C1C=CC(=O)N2
ChemSpider
17347226
Predicted Properties
PropertyValueSource
logP0.88Chemaxon
pKa (Strongest Acidic)8.52Chemaxon
pKa (Strongest Basic)9.88Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area81.59 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity84.58 m3·mol-1Chemaxon
Polarizability31.47 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon