CAS 115044-41-2 | 3H-Imidazo[4,5-f]quinoxalin-2-amine, N-hydroxy-3,8-dimethyl- | CAS Number 115044-41-2

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115044-41-2 | 3H-Imidazo[4,5-f]quinoxalin-2-amine, N-hydroxy-3,8-dimethyl-

CAS No: 115044-41-2 Catalog No: AG000FR6 MDL No:

Product Description

Catalog Number:

AG000FR6

Chemical Name:

3H-Imidazo[4,5-f]quinoxalin-2-amine, N-hydroxy-3,8-dimethyl-

CAS Number:

115044-41-2

Molecular Formula:

C11H11N5O

Molecular Weight:

229.2379

IUPAC Name:

N-(3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl)hydroxylamine

InChI:

InChI=1S/C11H11N5O/c1-6-5-12-7-3-4-8-10(9(7)13-6)14-11(15-17)16(8)2/h3-5,17H,1-2H3,(H,14,15)

InChI Key:

FVNCCTJGBOTWTM-UHFFFAOYSA-N

SMILES:

ONc1nc2c(n1C)ccc1c2nc(C)cn1

UNII:

JK23F1137Z

Properties

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.243g/mol

Monoisotopic Mass:

229.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Codominant expression of N-acetylation and O-acetylation activities catalyzed by N-acetyltransferase 2 in human hepatocytes.	The Journal of pharmacology and experimental therapeutics 20100801
Effects of single nucleotide polymorphisms in human N-acetyltransferase 2 on metabolic activation (O-acetylation) of heterocyclic amine carcinogens.	International journal of cancer 20060901
Metabolism of heterocyclic aromatic amines by human hepatocytes and cytochrome P4501A2.	Mutation research 20020930
Analysis and quantification of DNA adducts of 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline in liver of rats by liquid chromatography/electrospray tandem mass spectrometry.	Chemical research in toxicology 20020401
Regioselective differences in C(8)- and N-oxidation of 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline by human and rat liver microsomes and cytochromes P450 1A2.	Chemical research in toxicology 20010701
Metabolism of 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline in human hepatocytes: 2-amino-3-methylimidazo[4,5-f]quinoxaline-8-carboxylic acid is a major detoxification pathway catalyzed by cytochrome P450 1A2.	Chemical research in toxicology 20010201