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
ChemSpider
30791856
Predicted Properties
PropertyValueSource
Water Solubility0.329 mg/mLALOGPS
logP1.28ALOGPS
logP0.88Chemaxon
logS-3ALOGPS
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 Count10Chemaxon
Refractivity84.58 m3·mol-1Chemaxon
Polarizability31.42 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon