CHEBI:19644 - 2-hydroxylamino-4,6-dinitrotoluene

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ChEBI Name 2-hydroxylamino-4,6-dinitrotoluene
ChEBI ID CHEBI:19644
Definition A member of the class of nitrotoluenes that is 4,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H7N3O5
Net Charge 0
Average Mass 213.14760
Monoisotopic Mass 213.03857
InChI InChI=1S/C7H7N3O5/c1-4-6(8-11)2-5(9(12)13)3-7(4)10(14)15/h2-3,8,11H,1H3
InChIKey KONVLHWTMAMGAA-UHFFFAOYSA-N
SMILES Cc1c(NO)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
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ChEBI Ontology
Outgoing 2-hydroxylamino-4,6-dinitrotoluene (CHEBI:19644) has role xenobiotic metabolite (CHEBI:76206)
2-hydroxylamino-4,6-dinitrotoluene (CHEBI:19644) is a hydroxylamines (CHEBI:24709)
2-hydroxylamino-4,6-dinitrotoluene (CHEBI:19644) is a nitrotoluene (CHEBI:25566)
IUPAC Name
N-hydroxy-2-methyl-3,5-dinitroaniline
Synonym Source
4,6-dinitro-2-hydroxylaminotoluene ChEBI
Manual Xrefs Databases
C16393 KEGG COMPOUND
CPD-10447 MetaCyc
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Registry Numbers Types Sources
3060112 Reaxys Registry Number Reaxys
59283-76-0 CAS Registry Number KEGG COMPOUND
59283-76-0 CAS Registry Number ChemIDplus
Last Modified
12 June 2015