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CHEBI:2943 - azafenidin

ChEBI IDCHEBI:2943
ChEBI Nameazafenidin
Stars
DefinitionA triazolopyridine that is 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one which is substituted at position 2 by a 2,4-dichloro-5-(prop-2-yn-1-yloxy)phenyl group. A protoporphyrinogen oxidase inhibitor, it is used as a herbicide to control weeds in fruit crops such as pineapple, citrus, melons, and grapes. Not approved for use within the European Union.
Last Modified17 August 2017
DownloadsMolfile
FormulaC15H13Cl2N3O2
Net Charge0
Average Mass338.194
Monoisotopic Mass337.03848
SMILESC#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O2/c1-2-7-22-13-9-12(10(16)8-11(13)17)20-15(21)19-6-4-3-5-14(19)18-20/h1,8-9H,3-7H2
InChIKeyXOEMATDHVZOBSG-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor  An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
ChEBI Ontology
Outgoing Relation(s)
azafenidin (CHEBI:2943) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
azafenidin (CHEBI:2943) is a dichlorobenzene (CHEBI:23697)
azafenidin (CHEBI:2943) is a terminal acetylenic compound (CHEBI:73477)
azafenidin (CHEBI:2943) is a triazolopyridine (CHEBI:46746)
IUPAC Name 
2-[2,4-dichloro-5-(prop-2-yn-1-yloxy)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Synonyms  Source
azafénidineChEBI
2-(2,4-dichloro-5-prop-2-ynyloxyphenyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyridin-3(2H)-oneAlan Wood's Pesticides
DPX-R6447ChEBI
Brand Names  Source
MilestoneChEBI
EvolusChEBI
Manual XrefsDatabases
C10895KEGG COMPOUND
azafenidinAlan Wood's Pesticides
BE862884Patent
US4213773Patent
47PPDB
Registry NumbersSources
Reaxys:564690Reaxys
CAS:68049-83-2KEGG COMPOUND
CAS:68049-83-2Alan Wood's Pesticides
CAS:68049-83-2ChemIDplus
Citations