Propafenone hydrochlorideProduct ingredient for Propafenone

Name
Propafenone hydrochloride
Drug Entry
Propafenone

An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity. The drug is generally well tolerated.

Accession Number
DBSALT000148
Structure
Synonyms
Propafenone HCl
UNII
33XCH0HOCD
CAS Number
34183-22-7
Weight
Average: 377.905
Monoisotopic: 377.175771474
Chemical Formula
C21H28ClNO3
InChI Key
XWIHRGFIPXWGEF-UHFFFAOYSA-N
InChI
InChI=1S/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H
IUPAC Name
1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride
SMILES
Cl.CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
PubChem Compound
36708
ChemSpider
33715
ChEBI
8466
ChEMBL
CHEMBL1201063
Wikipedia
Propafenone
Predicted Properties
PropertyValueSource
Water Solubility0.00758 mg/mLALOGPS
logP3.1ALOGPS
logP3.54Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)9.72Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area58.56 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity100.21 m3·mol-1Chemaxon
Polarizability39.46 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon