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CHEBI:142824 - saflufenacil

ChEBI IDCHEBI:142824
ChEBI Namesaflufenacil
Stars
DefinitionA member of the class of sulfamides that is sulfamide in which one of the amino groups has been substituted by a methyl group an an isopropyl group, while the other has been substituted by a 2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]benzoyl group. An important BASF herbicide, not registered in Europe but sold in USA, Canada and several other countries to control weeds in a wide range of food crops. Often mixed with other products such as glyphosate.
Last Modified21 December 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H17ClF4N4O5S
Net Charge0
Average Mass500.858
Monoisotopic Mass500.05443
SMILESCC(C)N(C)S(=O)(=O)NC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl
InChIInChI=1S/C17H17ClF4N4O5S/c1-8(2)25(4)32(30,31)23-15(28)9-5-12(11(19)6-10(9)18)26-14(27)7-13(17(20,21)22)24(3)16(26)29/h5-8H,1-4H3,(H,23,28)
InChIKeyGNHDVXLWBQYPJE-UHFFFAOYSA-N
Wikipedia
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:
herbicide  A substance used to destroy plant pests.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
saflufenacil (CHEBI:142824) has functional parent uracil (CHEBI:17568)
saflufenacil (CHEBI:142824) has role agrochemical (CHEBI:33286)
saflufenacil (CHEBI:142824) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
saflufenacil (CHEBI:142824) has role herbicide (CHEBI:24527)
saflufenacil (CHEBI:142824) is a monochlorobenzenes (CHEBI:83403)
saflufenacil (CHEBI:142824) is a monofluorobenzenes (CHEBI:83575)
saflufenacil (CHEBI:142824) is a sulfamides (CHEBI:51871)
IUPAC Names 
2-chloro-4-fluoro-N-[isopropyl(methyl)sulfamoyl]-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]benzamide
2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]-N-[methyl(propan-2-yl)sulfamoyl]benzamide
Synonyms  Source
saflufénacileChEBI
N'-{2-chloro-4-fluoro-5-[1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoyl}-N-isopropyl-N-methylsulfamideAlan Wood's Pesticides
2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-[[methyl(1-methylethyl)amino]sulfonyl]benzamideAlan Wood's Pesticides
Brand Name  Source
KixorChemIDplus
Manual XrefsDatabases
saflufenacilAlan Wood's Pesticides
1244PPDB
SaflufenacilWikipedia
US2010035905Patent
Registry NumbersSources
Reaxys:11326826Reaxys
CAS:372137-35-4Alan Wood's Pesticides
CAS:372137-35-4ChemIDplus
Citations