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CHEBI:81852 - pentoxazone

ChEBI IDCHEBI:81852
ChEBI Namepentoxazone
Stars
DefinitionAn oxazolidinone that is 1,3-oxazolidine-2,4-dione which is substituted on the nitrogen (position 3) by a 4-chloro-5-(cyclopentyloxy)-2-fluorophenyl group, and at position 5 by an isopropylidene group. A protoporphyrinogen oxidase inhibitor, it is used as a pre- and post-emergence herbicide to control weeds in rice.
Last Modified17 August 2017
DownloadsMolfile
FormulaC17H17ClFNO4
Net Charge0
Average Mass353.777
Monoisotopic Mass353.08301
SMILESCC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O
InChIInChI=1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyJZPKLLLUDLHCEL-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor  An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
pentoxazone (CHEBI:81852) has role agrochemical (CHEBI:33286)
pentoxazone (CHEBI:81852) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
pentoxazone (CHEBI:81852) has role herbicide (CHEBI:24527)
pentoxazone (CHEBI:81852) is a aromatic ether (CHEBI:35618)
pentoxazone (CHEBI:81852) is a monochlorobenzenes (CHEBI:83403)
pentoxazone (CHEBI:81852) is a monofluorobenzenes (CHEBI:83575)
pentoxazone (CHEBI:81852) is a oxazolidinone (CHEBI:55374)
IUPAC Name 
3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-isopropylidene-1,3-oxazolidine-2,4-dione
Synonyms  Source
3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(1-methylethylidene)-2,4-oxazolidinedioneAlan Wood's Pesticides
3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(propan-2-ylidene)-1,3-oxazolidine-2,4-dioneAlan Wood's Pesticides
Manual XrefsDatabases
C18592KEGG COMPOUND
pentoxazoneAlan Wood's Pesticides
1162PPDB
Registry NumbersSources
Reaxys:11343515Reaxys
CAS:110956-75-7KEGG COMPOUND
CAS:110956-75-7Alan Wood's Pesticides
CAS:110956-75-7ChemIDplus
Citations