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Chemical substance record

N-hydroxy-MeIQx

115044-41-2C11H11N5O229.243 g/mol
Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number115044-41-2ChEBI ↗
Molecular formulaC11H11N5OChEBI ↗
Molar mass229.243 g/molChEBI ↗
Monoisotopic mass229.09636 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:133915ChEBI ↗

Cross-source molecular data

PubChem
Molar mass229.24 g/molPubChem ↗
Exact mass229.09635999 DaPubChem ↗
Computed XLogP1.2PubChem ↗
Topological polar surface area (Ų)75.9PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors5PubChem ↗
Rotatable bonds1PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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N-hydroxy-MeIQx
N-(3,8-dimethyl-1,3-dihydro-2H-imidazo[4,5-f]quinoxalin-2-ylidene)hydroxylamine
FVNCCTJGBOTWTM-UHFFFAOYSA-N
Cc1cnc2ccc3c(nc(NO)n3C)c2n1
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)

Names & synonyms

N-(3,8-dimethyl-1,3-dihydro-2H-imidazo[4,5-f]quinoxalin-2-ylidene)hydroxylamine

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
hydroxylamineChEBI parent class · 15429 ↗imidazoquinoxalineChEBI parent class · 76605 ↗
organic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

mutagengenotoxincarcinogenic agenthuman xenobiotic metabolitehuman urinary metaboliterat metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00436218 mol

Uses 229.243 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 11 atoms
57.63%
N
Nitrogen · 5 atoms
30.55%
O
Oxygen · 1 atom
6.98%
H
Hydrogen · 11 atoms
4.84%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Biomonitoring of heterocyclic aromatic amine metabolites in human urine. ↗Cancer letters · 1999 Sep 1 · PMID 10503894
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 · 2001 Feb · PMID 11258970
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:133915

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 115104 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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