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CHEBI:83823 - pyrisoxazole

ChEBI IDCHEBI:83823
ChEBI Namepyrisoxazole
Stars
DefinitionA diastereoisomeric mixture of (3R,5S)- and (3R,5R)-pyrisoxazole. A novel isomeric fungicide primarily used for control of control tomato botrytis and also for fungal diseases of wheat and other crops.
Last Modified14 March 2024
SubmitterSteve
DownloadsMolfile
FormulaC16H17ClN2O
Net Charge0
Average Mass288.778
Monoisotopic Mass288.10294
SMILESCN1OC(c2ccc(Cl)cc2)C[C@]1(C)c1cccnc1
InChIInChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3/t15?,16-/m1/s1
InChIKeyDHTJFQWHCVTNRY-OEMAIJDKSA-N
Roles Classification
Biological Roles:
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor  An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14α-demethylase).
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
pyrisoxazole (CHEBI:83823) has part (3R,5R)-pyrisoxazole (CHEBI:83826)
pyrisoxazole (CHEBI:83823) has part (3R,5S)-pyrisoxazole (CHEBI:83827)
pyrisoxazole (CHEBI:83823) has role antifungal agrochemical (CHEBI:86328)
pyrisoxazole (CHEBI:83823) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
pyrisoxazole (CHEBI:83823) is a diastereoisomeric mixture (CHEBI:60915)
IUPAC Name 
3-[(3R)-5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine
Synonym  Source
DingjunezuoChemIDplus
Manual XrefsDatabases
pyrisoxazoleAlan Wood's Pesticides
2616PPDB
Registry NumbersSources
Reaxys:28750612Reaxys
CAS:847749-37-5ChemIDplus
Citations