Betaxolol hydrochlorideProduct ingredient for Betaxolol

Name
Betaxolol hydrochloride
Drug Entry
Betaxolol

A cardioselective beta-1-adrenergic antagonist with no partial agonist activity.

Accession Number
DBSALT000328
Structure
Synonyms
Betaxolol HCl
UNII
6X97D2XT0O
CAS Number
63659-19-8
Weight
Average: 343.889
Monoisotopic: 343.191421538
Chemical Formula
C18H30ClNO3
InChI Key
CHDPSNLJFOQTRK-UHFFFAOYSA-N
InChI
InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H
IUPAC Name
1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol hydrochloride
SMILES
Cl.CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1
PubChem Compound
107952
ChemSpider
97073
ChEBI
643228
ChEMBL
CHEMBL1691
Wikipedia
Betaxolol
Predicted Properties
PropertyValueSource
Water Solubility0.0298 mg/mLALOGPS
logP3ALOGPS
logP2.54Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)9.67Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area50.72 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity88.64 m3·mol-1Chemaxon
Polarizability37.12 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon