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CHEBI:83480 - chloridazone-methyl-desphenyl

ChEBI IDCHEBI:83480
ChEBI Namechloridazone-methyl-desphenyl
Stars
DefinitionA pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a methyl group at position 2. It is a metabolite of the herbicide chloridazone.jfuyklriltoil
Last Modified11 November 2014
DownloadsMolfile
FormulaC5H6ClN3O
Net Charge0
Average Mass159.576
Monoisotopic Mass159.01994
SMILESCn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3
InChIKeyXNSGCNYTNLWRKM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
chloridazone-methyl-desphenyl (CHEBI:83480) has role marine xenobiotic metabolite (CHEBI:83399)
chloridazone-methyl-desphenyl (CHEBI:83480) is a organochlorine compound (CHEBI:36683)
chloridazone-methyl-desphenyl (CHEBI:83480) is a primary arylamine (CHEBI:50471)
chloridazone-methyl-desphenyl (CHEBI:83480) is a pyridazinone (CHEBI:26414)
IUPAC Name 
5-amino-4-chloro-2-methylpyridazin-3(2H)-one
Registry NumbersSources
Reaxys:510721Reaxys