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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 ChemicalBook:CB9852549, eMolecules:486434, ZINC000003860644
Download Molfile XML SDF
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