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21738-42-1

21738-42-1 structural image
Product Name: OXAMNIQUINE(200MG)DISCONTINUED
Formula: C14H21N3O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Pale yellow crystals from isopropanol
Melting Point 147-149 °C
Solubility 820 mg/L
LogP 2.24
pH 8-10 /Aqueous suspensions/
Other Experimental Properties /Oxamniquine/ is structurally similar to hycanthone and lucanthone.

COMPUTED DESCRIPTORS

Molecular Weight 279.33 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 279.15829154 g/mol
Monoisotopic Mass 279.15829154 g/mol
Topological Polar Surface Area 90.1 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 332
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

{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol is a member of the class of quinolines that is 1,2,3,4-tetrahydroquinoline which is substituted at positions 2, 6, and 7 by (isopropylamino)methyl, hydroxymethyl, and nitro groups, respectively. It is a member of quinolines, a C-nitro compound, a secondary amino compound and an aromatic primary alcohol.