Befunolol hydrochlorideProduct ingredient for Befunolol

Show full entry for Befunolol
Name
Befunolol hydrochloride
Drug Entry
Befunolol

Befunolol is a beta blocker introduced in 1983 by Kakenyaku Kakko. It is currently in experimental status, and is being tested for the management of open angle glaucoma.

See full entry for Befunolol
Accession Number
DBSALT001100
Structure
Similar Structures
Synonyms
Befunolol HCl / Befunolol hydrochloride
UNII
B03Z2VY37I
CAS Number
39543-79-8
Weight
Average: 327.81
Monoisotopic: 327.1237359
Chemical Formula
C16H22ClNO4
InChI Key
TVVTWOGRPVJKDJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H21NO4.ClH/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14;/h4-7,10,13,17,19H,8-9H2,1-3H3;1H
IUPAC Name
1-(7-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-1-benzofuran-2-yl)ethan-1-one hydrochloride
SMILES
Cl.CC(C)NCC(O)COC1=CC=CC2=C1OC(=C2)C(C)=O
ChemSpider
35090
ChEBI
31254
Predicted Properties
PropertyValueSource
Water Solubility0.108 mg/mLALOGPS
logP1.71ALOGPS
logP1.23Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)13.92Chemaxon
pKa (Strongest Basic)9.66Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area71.7 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity79.5 m3·mol-1Chemaxon
Polarizability32.01 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon