CHEBI:83823 - pyrisoxazole

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ChEBI Name pyrisoxazole
ChEBI ID CHEBI:83823
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H17ClN2O
Net Charge 0
Average Mass 288.77200
Monoisotopic Mass 288.103
InChI InChI=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
InChIKey DHTJFQWHCVTNRY-OEMAIJDKSA-N
SMILES CN1OC(C[C@]1(C)c1cccnc1)c1ccc(Cl)cc1
Roles Classification
Biological Role(s): 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 14alpha-demethylase).
antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
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ChEBI Ontology
Outgoing 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
Dingjunezuo ChemIDplus
Database Link Database
pyrisoxazole Alan Wood's Pesticides
View more database links
Registry Number Type Source
847749-37-5 CAS Registry Number ChemIDplus
Last Modified
07 July 2015