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1491-59-4

1491-59-4 structural image
Product Name: Oxymetazoline
Formula: C16H24N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Crystals from benzene
Melting Point 182 °C
Solubility ODORLESS; WHITE TO NEARLY WHITE, FINE, CRYSTALLINE POWDER; SOL IN ALC
LogP 3.4
Stability/Shelf Life STABLE IN LIGHT & HEAT, & IS NONHYGROSCOPIC /HYDROCHLORIDE/
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Kovats Retention Index 2123 2170 2168

COMPUTED DESCRIPTORS

Molecular Weight 260.37 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 260.188863393 g/mol
Monoisotopic Mass 260.188863393 g/mol
Topological Polar Surface Area 44.6 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 345
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Oxymetazoline is a member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion. It has a role as an alpha-adrenergic agonist, a sympathomimetic agent, a nasal decongestant and a vasoconstrictor agent. It is a member of phenols, a carboxamidine and a member of imidazolines. It is a conjugate base of an oxymetazoline(1+).