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23031-25-6

23031-25-6 structural image
Product Name: 5-(1-Hydroxy-2-tert-butylamino-ethyl)benzene-1,3-diol
Formula: C12H19NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 247
Solubility 1 g/1.5 mL
LogP 0.9
Caco2 Permeability -6.38
Dissociation Constants 8.65
Collision Cross Section 154.9 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

COMPUTED DESCRIPTORS

Molecular Weight 225.28 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 225.13649347 g/mol
Monoisotopic Mass 225.13649347 g/mol
Topological Polar Surface Area 72.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 205
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

Terbutaline is a member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group. It has a role as a beta-adrenergic agonist, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an anti-asthmatic drug, a bronchodilator agent, a sympathomimetic agent, a tocolytic agent and a hypoglycemic agent. It is a member of phenylethanolamines and a member of resorcinols.

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Venkatasai Life Sciences

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