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CHEBI:8939 - flumioxazin

Default Structure
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:
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).
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.
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)
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
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
7-fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-oneChemIDplus
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
S-53482KEGG COMPOUND
Brand Name  Source
SumisoyaChemIDplus
Manual XrefsDatabases
335PPDB
C11035KEGG COMPOUND
flumioxazinAlan Wood's Pesticides
HMDB0034854HMDB
Registry NumbersSources
Reaxys:8290535Reaxys
CAS:103361-09-7Alan Wood's Pesticides
CAS:103361-09-7KEGG COMPOUND
CAS:103361-09-7ChemIDplus
Citations