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42794-76-3

42794-76-3 structural image
Product Name: MIDODRINE
Formula: C12H18N2O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 200 to 203°C
Solubility Soluble
LogP -0.5
Optical Rotation Specific optical rotation = +138.5 deg at 20 °C/D (concentration = 0.5 in chloroform)
Decomposition When heated to decomposition, material emits toxic fumes of nitrogen oxides and hydrogen chloride.
Dissociation Constants 7.8
Other Experimental Properties White to off-white /Midodrine hydrochloride/

COMPUTED DESCRIPTORS

Molecular Weight 254.28 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 254.12665706 g/mol
Monoisotopic Mass 254.12665706 g/mol
Topological Polar Surface Area 93.8 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 263
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

Midodrine is an aromatic ether that is 1,4-dimethoxybenzene which is substituted at position 2 by a 2-(glycylamino)-1-hydroxyethyl group. A direct-acting sympathomimetic with selective alpha-adrenergic agonist activity, it is used (generally as its hydrochloride salt) as a peripheral vasoconstrictor in the treatment of certain hypotensive states. The main active moiety is its major metabolite, deglymidodrine. It has a role as a prodrug, an alpha-adrenergic agonist, a sympathomimetic agent and a vasoconstrictor agent. It is a secondary alcohol, an amino acid amide and an aromatic ether. It is functionally related to a glycinamide and a deglymidodrine. It is a conjugate base of a midodrine(1+).

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