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

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ChEBI Name 2,4-dihydroxylamino-6-nitrotoluene ChEBI ID CHEBI:19357 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H9N3O4 Net Charge 0 Average Mass 199.16410 Monoisotopic Mass 199.05931 InChI InChI=1S/C7H9N3O4/c1-4-6(9-12)2-5(8-11)3-7(4)10(13)14/h2-3,8-9,11-12H,1H3 InChIKey CJOXQEXJXBLWDP-UHFFFAOYSA-N SMILES Cc1c(NO)cc(NO)cc1[N+]([O-])=O Roles Classification Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Synonym Source 2,4-dihydroxylamino-6-nitrotoluene UniProt Manual Xref Database C16402 KEGG COMPOUND View more database links Registry Number Type Source 8143531 Reaxys Registry Number Reaxys Last Modified 23 May 2024