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CHEBI:19357 - 2,4-dihydroxylamino-6-nitrotoluene

ChEBI IDCHEBI:19357
ChEBI Name2,4-dihydroxylamino-6-nitrotoluene
Stars
DefinitionA member of the class of nitrotoluenes that is ortho-nitrotoluene bearing two additional hydroxylamino substituents located at the two positions meta to the nitro group.
Last Modified23 May 2024
DownloadsMolfile
FormulaC7H9N3O4
Net Charge0
Average Mass199.166
Monoisotopic Mass199.05931
SMILESCc1c(NO)cc(NO)cc1[N+](=O)[O-]
InChIInChI=1S/C7H9N3O4/c1-4-6(9-12)2-5(8-11)3-7(4)10(13)14/h2-3,8-9,11-12H,1H3
InChIKeyCJOXQEXJXBLWDP-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
2,4-dihydroxylamino-6-nitrotoluene (CHEBI:19357) has role xenobiotic metabolite (CHEBI:76206)
2,4-dihydroxylamino-6-nitrotoluene (CHEBI:19357) is a hydroxylamines (CHEBI:24709)
2,4-dihydroxylamino-6-nitrotoluene (CHEBI:19357) is a nitrotoluene (CHEBI:25566)
IUPAC Name 
N1,N3-dihydroxy-4-methyl-5-nitrobenzene-1,3-diamine
UniProt Name  Source
2,4-dihydroxylamino-6-nitrotolueneUniProt
Manual XrefsDatabases
C16402KEGG COMPOUND
Registry NumbersSources
Reaxys:8143531Reaxys