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63659-18-7

63659-18-7 structural image
Product Name: Betaxolol
Formula: C18H29NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 70-72 °C
Solubility 451 mg/L
LogP 2.81
Caco2 Permeability -4.81
Dissociation Constants 9.21

COMPUTED DESCRIPTORS

Molecular Weight 307.4 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 11
Exact Mass 307.21474379 g/mol
Monoisotopic Mass 307.21474379 g/mol
Topological Polar Surface Area 50.7 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 286
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Betaxolol is a propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. It is a selective beta1-receptor blocker and is used in the treatment of glaucoma as well as hypertension, arrhythmias, and coronary heart disease. It is also used to reduce non-fatal cardiac events in patients with heart failure. It has a role as a beta-adrenergic antagonist, an antihypertensive agent and a sympatholytic agent.