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CHEBI:83479 - chloridazone-desphenyl

ChEBI IDCHEBI:83479
ChEBI Namechloridazone-desphenyl
Stars
DefinitionA heteroaryl hydroxy compound that is pyridazin-3-ol substituted by an amino group at position 5 and a chloro group at position 4. It is a metabolite of the herbicide chloridazone.
Last Modified11 November 2014
DownloadsMolfile
FormulaC4H4ClN3O
Net Charge0
Average Mass145.549
Monoisotopic Mass145.00429
SMILESNc1cnnc(O)c1Cl
InChIInChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)
InChIKeyFEWPCPCEGBPTAL-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-desphenyl (CHEBI:83479) has role marine xenobiotic metabolite (CHEBI:83399)
chloridazone-desphenyl (CHEBI:83479) is a heteroaryl hydroxy compound (CHEBI:74818)
chloridazone-desphenyl (CHEBI:83479) is a organochlorine compound (CHEBI:36683)
chloridazone-desphenyl (CHEBI:83479) is a primary arylamine (CHEBI:50471)
chloridazone-desphenyl (CHEBI:83479) is a pyridazines (CHEBI:37921)
IUPAC Name 
5-amino-4-chloropyridazin-3-ol
Registry NumbersSources
Reaxys:638650Reaxys
CAS:6339-19-1ChemIDplus
Citations