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CHEBI:191218 - epyrifenacil

ChEBI IDCHEBI:191218
ChEBI Nameepyrifenacil
Stars
DefinitionAn ethyl ester resulting from the formal condensation of the carboxy group of S-3100-CA with ethanol. It is a proherbicide for S-3100-CA and exhibits high efficacy against a wide range of broad-leaved weeds and grass weeds.
Last Modified29 April 2022
SubmitterAdnan
DownloadsMolfile
FormulaC21H16ClF4N3O6
Net Charge0
Average Mass517.819
Monoisotopic Mass517.06638
SMILESCCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl
InChIInChI=1S/C21H16ClF4N3O6/c1-3-33-18(31)10-34-19-14(5-4-6-27-19)35-15-8-13(12(23)7-11(15)22)29-17(30)9-16(21(24,25)26)28(2)20(29)32/h4-9H,3,10H2,1-2H3
InChIKeyXPEVJXBWHXAUDR-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).
Applications:
proherbicide  A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
epyrifenacil (CHEBI:191218) has functional parent S-3100-CA (CHEBI:191219)
epyrifenacil (CHEBI:191218) has role agrochemical (CHEBI:33286)
epyrifenacil (CHEBI:191218) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
epyrifenacil (CHEBI:191218) has role proherbicide (CHEBI:136646)
epyrifenacil (CHEBI:191218) is a aromatic ether (CHEBI:35618)
epyrifenacil (CHEBI:191218) is a diether (CHEBI:46786)
epyrifenacil (CHEBI:191218) is a ethyl ester (CHEBI:23990)
epyrifenacil (CHEBI:191218) is a monochlorobenzenes (CHEBI:83403)
epyrifenacil (CHEBI:191218) is a monofluorobenzenes (CHEBI:83575)
epyrifenacil (CHEBI:191218) is a organofluorine compound (CHEBI:37143)
epyrifenacil (CHEBI:191218) is a pyridines (CHEBI:26421)
epyrifenacil (CHEBI:191218) is a pyrimidone (CHEBI:38337)
IUPAC Name 
ethyl [(3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]phenoxy}pyridin-2-yl)oxy]acetate
Synonyms  Source
ethyl [(3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]phenoxy}-2-pyridyl)oxy]acetateAlan Wood's Pesticides
ethyl [(3-{2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1(2H)-yl]-4-fluorophenoxy}-2-pyridyl)oxy]acetateAlan Wood's Pesticides
ethyl 2-[[3-[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenoxy]-2-pyridinyl]oxy]acetateAlan Wood's Pesticides
SYN-523ChemIDplus
S-3100ChemIDplus
Brand Name  Source
RapidicilChEBI
Manual XrefsDatabases
epyrifenacilAlan Wood's Pesticides
3461PPDB
EP1122244Patent
Registry NumbersSources
Reaxys:11322502Reaxys
CAS:353292-31-6ChemIDplus
Citations