CHEBI:229757 - pyraquinate

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ChEBI Name pyraquinate
ChEBI ID CHEBI:229757
Definition A member of the class of quinazolines that is 1-methylquinazoline-2,4(1H,3H)-dione substituted by 3-chlorophenyl, methyl, and {5-[(diethylcarbamoyl)oxy]-1,3-dimethyl-1H-pyrazol-4-yl}carbonyl groups at positions 3, 5, and 6, respectively. It is a herbicide developed by Liaoning Cynda Chemical Co. Ltd.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H28ClN5O5
Net Charge 0
Average Mass 538.000
Monoisotopic Mass 537.17790
InChI InChI=1S/C27H28ClN5O5/c1-7-32(8-2)27(37)38-25-22(16(4)29-31(25)6)23(34)19-12-13-20-21(15(19)3)24(35)33(26(36)30(20)5)18-11-9-10-17(28)14-18/h9-14H,7-8H2,1-6H3
InChIKey QCETYWAAOPFNSO-UHFFFAOYSA-N
SMILES CCN(CC)C(=O)OC1=C(C(=O)C2=C(C)C3=C(C=C2)N(C)C(=O)N(C2=CC(Cl)=CC=C2)C3=O)C(C)=NN1C
Roles Classification
Biological Role(s): EC 1.13.11.27 (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 1.13.11.27).
Application(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pyraquinate (CHEBI:229757) has role EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317)
pyraquinate (CHEBI:229757) has role herbicide (CHEBI:24527)
pyraquinate (CHEBI:229757) is a aromatic ketone (CHEBI:76224)
pyraquinate (CHEBI:229757) is a carbamate ester (CHEBI:23003)
pyraquinate (CHEBI:229757) is a monochlorobenzenes (CHEBI:83403)
pyraquinate (CHEBI:229757) is a pyrazoles (CHEBI:26410)
pyraquinate (CHEBI:229757) is a quinazolines (CHEBI:38530)
IUPAC Name
4-{[3-(3-chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl]carbonyl}-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate
Synonyms Sources
4-[3-(3-chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro(quinazoline-6-carbonyl)]-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate Alan Wood's Pesticides
4-[[3-(3-chlorophenyl)-1,2,3,4-tetrahydro-1,5-dimethyl-2,4-dioxo-6-quinazolinyl]carbonyl]-1,3-dimethyl-1H-pyrazol-5-yl N,N-diethylcarbamate Alan Wood's Pesticides
4-{[3-(m-chlorophenyl)-1,2,3,4-tetrahydro-1,5-dimethyl-2,4-dioxoquinazolin-6-yl]carbonyl}-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate Alan Wood's Pesticides
CDH18119 ChEBI
Manual Xrefs Databases
3551 PPDB
pyraquinate Alan Wood's Pesticides
View more database links
Registry Number Type Source
2378093-62-8 CAS Registry Number Alan Wood's Pesticides
Citation Waiting for Citations Type Source
36877166 PubMed citation Europe PMC
Last Modified
12 March 2024