CHEBI:20408 - 4-hydroxylamino-2,6-dinitrotoluene

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ChEBI Name 4-hydroxylamino-2,6-dinitrotoluene ChEBI ID CHEBI:20408 Definition A member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4. 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 C7H7N3O5 Net Charge 0 Average Mass 213.14760 Monoisotopic Mass 213.03857 InChI InChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3 InChIKey HTTDEAQRSCMCQS-UHFFFAOYSA-N SMILES Cc1c(cc(NO)cc1[N+]([O-])=O)[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 4-hydroxylamino-2,6-dinitrotoluene (CHEBI:20408) has role xenobiotic metabolite (CHEBI:76206) 4-hydroxylamino-2,6-dinitrotoluene (CHEBI:20408) is a hydroxylamines (CHEBI:24709) 4-hydroxylamino-2,6-dinitrotoluene (CHEBI:20408) is a nitrotoluene (CHEBI:25566) Synonym Source 4-hydroxylamino-2,6-dinitrotoluene UniProt Manual Xrefs Databases C16392 KEGG COMPOUND CPD-10457 MetaCyc View more database links Registry Numbers Types Sources 3084873 Reaxys Registry Number Reaxys 59283-75-9 CAS Registry Number ChemIDplus Last Modified 17 May 2024