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115044-41-2

115044-41-2 structural image
Product Name: 2-Hydroxyamino-3,8-dimethylimidazo[4,5-f]quinoxaline
Formula: C11H11N5O
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COMPUTED DESCRIPTORS

Molecular Weight 229.24 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 229.09635999 g/mol
Monoisotopic Mass 229.09635999 g/mol
Topological Polar Surface Area 75.9 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 289
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

N-hydroxy-MeIQx is an imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by a hydroxyamino group. The active metabolite of the dietary carcinogen MeIQx. It has a role as a human xenobiotic metabolite, a human urinary metabolite, a mutagen, a carcinogenic agent, a genotoxin and a rat metabolite. It is an imidazoquinoxaline and a hydroxylamine. It is functionally related to a MeIQx.