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34331-89-0

34331-89-0 structural image
Product Name: ISOXSUPRINE HYDROCHLORIDE
Formula: C18H24ClNO3
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Crystals from water
Taste Bitter crystals
Melting Point 203-204 °C
Solubility Soluble in ethanol
Refractive Index INDICES OF REFRACTION; ALPHA 1.508; BETA 1.648; GAMMA 1.670
Collision Cross Section 172.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties MW: 301.38; mp 102.5-103.5 °C /Isoxsuprine/

COMPUTED DESCRIPTORS

Molecular Weight 337.8 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 337.1444713 g/mol
Monoisotopic Mass 337.1444713 g/mol
Topological Polar Surface Area 61.7 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 299
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Isoxsuprine hydrochloride is an alkylbenzene.