loading...| Preferred Name |
isoxaflutole |
|
| Synonyms |
(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone (5-cyclopropyl-1,2-oxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone (5-cyclopropylisoxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone 5-cyclopropyl-4-[2-methanesulfonyl-4-(trifluoromethyl)benzoyl]-1,2-oxazole 5-cyclopropyl-1,2-oxazol-4-yl alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl ketone Balance EXP 31130A Merlin RP 201772 RPA 201772 (5-cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_141213 |
|
| alternative term |
(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone (5-cyclopropyl-1,2-oxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone (5-cyclopropylisoxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone 5-cyclopropyl-4-[2-methanesulfonyl-4-(trifluoromethyl)benzoyl]-1,2-oxazole 5-cyclopropyl-1,2-oxazol-4-yl alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl ketone Balance EXP 31130A Merlin RP 201772 RPA 201772 (5-cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_38317 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:8344543 PMID:12502399 CAS:141112-29-0 PMID:19333913 Patent:EP527036 AGR:IND44260626 PMID:10858299 AGR:IND601309029 PMID:22677522 DrugBank:DB12938 PMID:12236689 PMID:29170513 PMID:15092948 PMID:11455644 |
|
| 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. |
|
| formula |
C15H12F3NO4S |
|
| has_exact_synonym |
(5-cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone (5-cyclopropyl-1,2-oxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone (5-cyclopropylisoxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone 5-cyclopropyl-4-[2-methanesulfonyl-4-(trifluoromethyl)benzoyl]-1,2-oxazole 5-cyclopropyl-1,2-oxazol-4-yl alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl ketone Balance EXP 31130A Merlin RP 201772 RPA 201772 |
|
| id |
CHEBI:141213 |
|
| in_subset | ||
| 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 |
|
| inchikey |
OYIKARCXOQLFHF-UHFFFAOYSA-N |
|
| label |
isoxaflutole |
|
| mass |
359.322 |
|
| monoisotopicmass |
359.04391 |
|
| notation |
CHEBI:141213 |
|
| prefLabel |
isoxaflutole |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_38317 |
|
| smiles |
CS(C=1C=C(C=CC1C(C=2C=NOC2C3CC3)=O)C(F)(F)F)(=O)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35850 http://purl.obolibrary.org/obo/CHEBI_51454 http://purl.obolibrary.org/obo/CHEBI_55373 |