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30392-40-6

30392-40-6 structural image
Product Name: Bitolterol
Formula: C28H31NO5
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CHEMICAL AND PHYSICAL PROPERTIES

LogP 5.8

COMPUTED DESCRIPTORS

Molecular Weight 461.5 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 461.22022309 g/mol
Monoisotopic Mass 461.22022309 g/mol
Topological Polar Surface Area 84.9 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 658
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

Bitolterol is the di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema. It has a role as a bronchodilator agent, an anti-asthmatic drug, a beta-adrenergic agonist and a prodrug. It is a member of ethanolamines, a carboxylic ester, a diester, a secondary amino compound and a secondary alcohol.