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CHEBI:8939 - flumioxazin

ChEBI IDCHEBI:8939
ChEBI Nameflumioxazin
Stars
DefinitionA benzoxazine that is N-(prop-2-yn-1-yl)-2H-1,4-benzoxazin-3(4H)-one which is substituted at position 6 by a 1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl group and at position 7 by a fluorine. A protoporphyrinogen oxidase inhibitor, it is used for the control of weeds in soya, peanuts, and a variety of vegetable and fruit crops.
Last Modified11 August 2017
DownloadsMolfile
FormulaC19H15FN2O4
Net Charge0
Average Mass354.337
Monoisotopic Mass354.10159
SMILESC#CCN1C(=O)COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21
InChIInChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
InChIKeyFOUWCSDKDDHKQP-UHFFFAOYSA-N
Roles Classification
Biological Roles:
teratogenic agent  A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
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:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
flumioxazin (CHEBI:8939) has role agrochemical (CHEBI:33286)
flumioxazin (CHEBI:8939) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
flumioxazin (CHEBI:8939) has role herbicide (CHEBI:24527)
flumioxazin (CHEBI:8939) has role teratogenic agent (CHEBI:50905)
flumioxazin (CHEBI:8939) is a benzoxazine (CHEBI:46969)
flumioxazin (CHEBI:8939) is a dicarboximide (CHEBI:35356)
flumioxazin (CHEBI:8939) is a organofluorine compound (CHEBI:37143)
flumioxazin (CHEBI:8939) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
2-[7-fluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Synonyms  Source
S-53482KEGG COMPOUND
2-[7-fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dioneAlan Wood's Pesticides
N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamideAlan Wood's Pesticides
flumioxazineChEBI
S 53482ChemIDplus
7-fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-oneChemIDplus
Brand Name  Source
SumisoyaChemIDplus
Manual XrefsDatabases
C11035KEGG COMPOUND
flumioxazinAlan Wood's Pesticides
HMDB0034854HMDB
335PPDB
Registry NumbersSources
Reaxys:8290535Reaxys
CAS:103361-09-7KEGG COMPOUND
CAS:103361-09-7Alan Wood's Pesticides
CAS:103361-09-7ChemIDplus
Citations