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CHEBI:83266 - tebufloquin

ChEBI IDCHEBI:83266
ChEBI Nametebufloquin
Stars
DefinitionA member of the class of quinolines that is quinoline which is substituted at positions 2 and 3 by methyl groups and at positions 4, 6, and 8 by acetoxy, tert-butyl, and fluorine, respectively. A fungicide developed mainly for the control of rice blast (Magnaporthe grisea), it has also been found to be effective against fungal diseases in soya beans and tomatoes.
Last Modified8 July 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H20FNO2
Net Charge0
Average Mass289.350
Monoisotopic Mass289.14781
SMILESCC(=O)Oc1c(C)c(C)nc2c(F)cc(C(C)(C)C)cc12
InChIInChI=1S/C17H20FNO2/c1-9-10(2)19-15-13(16(9)21-11(3)20)7-12(8-14(15)18)17(4,5)6/h7-8H,1-6H3
InChIKeyLWLJEQHTPVPKSJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
tebufloquin (CHEBI:83266) has role antifungal agrochemical (CHEBI:86328)
tebufloquin (CHEBI:83266) is a acetate ester (CHEBI:47622)
tebufloquin (CHEBI:83266) is a organofluorine compound (CHEBI:37143)
tebufloquin (CHEBI:83266) is a quinolines (CHEBI:26513)
IUPAC Name 
6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl acetate
Manual XrefsDatabases
tebufloquinAlan Wood's Pesticides
1658PPDB
Registry NumbersSources
Reaxys:11342129Reaxys
CAS:376645-78-2ChEBI