CHEBI:141213 - isoxaflutole

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ChEBI Name isoxaflutole
Definition A member of the class of isoxazoles that is 1,2-oxazole substituted by a 2-(methanesulfonyl)-4-(trifluoromethyl)benzoyl group and a cyclopropyl group at positions 4 and 5, respectively. It is a 4-hydroxyphenylpyruvate dioxygenase inhibitor which is used as a herbicide for weed control in maize and sugarcane.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H12F3NO4S
Net Charge 0
Average Mass 359.322
Monoisotopic Mass 359.04391
InChI InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
Roles Classification
Biological Role(s): EC (4-hydroxyphenylpyruvate dioxygenase) inhibitor
An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the activity of 4-hydroxyphenylpyruvate dioxygenase (EC
Application(s): 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.
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing isoxaflutole (CHEBI:141213) has role agrochemical (CHEBI:33286)
isoxaflutole (CHEBI:141213) has role EC (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317)
isoxaflutole (CHEBI:141213) has role proherbicide (CHEBI:136646)
isoxaflutole (CHEBI:141213) is a (trifluoromethyl)benzenes (CHEBI:83565)
isoxaflutole (CHEBI:141213) is a aromatic ketone (CHEBI:76224)
isoxaflutole (CHEBI:141213) is a cyclopropanes (CHEBI:51454)
isoxaflutole (CHEBI:141213) is a isoxazoles (CHEBI:55373)
isoxaflutole (CHEBI:141213) is a sulfone (CHEBI:35850)
Synonyms Sources
(5-cyclopropyl-1,2-oxazol-4-yl)(α,α,α-trifluoro-2-mesyl-p-tolyl)methanone ChEBI
(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone Alan Wood's Pesticides
(5-cyclopropylisoxazol-4-yl)(α,α,α-trifluoro-2-mesyl-p-tolyl)methanone IUPAC
5-cyclopropyl-1,2-oxazol-4-yl α,α,α-trifluoro-2-mesyl-p-tolyl ketone ChEBI
5-cyclopropyl-4-[2-methanesulfonyl-4-(trifluoromethyl)benzoyl]-1,2-oxazole DrugBank
EXP 31130A ChemIDplus
RP 201772 ChemIDplus
RPA 201772 ChemIDplus
Brand Names Sources
Balance DrugBank
Merlin ChemIDplus
Manual Xrefs Databases
DB12938 DrugBank
EP527036 Patent
View more database links
Registry Numbers Types Sources
141112-29-0 CAS Registry Number ChemIDplus
141112-29-0 CAS Registry Number NIST Chemistry WebBook
8344543 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10858299 PubMed citation Europe PMC
11455644 PubMed citation Europe PMC
12236689 PubMed citation Europe PMC
12502399 PubMed citation Europe PMC
15092948 PubMed citation Europe PMC
19333913 PubMed citation Europe PMC
22677522 PubMed citation Europe PMC
29170513 PubMed citation Europe PMC
IND44260626 Agricola citation Europe PMC
IND601309029 Agricola citation Europe PMC
Last Modified
10 May 2019