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CHEBI:85627 - picarbutrazox

ChEBI IDCHEBI:85627
ChEBI Namepicarbutrazox
Stars
DefinitionAn oxime O-ether that is the (Z)-oxime derivative of 1-methyl-1H-tetrazol-5-yl phenyl ketone in which the hydrogen of the hydroxy group has been replaced by the N-tert-butoxycarbonyl derivative of a [6-(Boc-amino)pyridin-2-yl]methyl group. It is a novel fungicide developed for use on cereals.
Last Modified22 July 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H23N7O3
Net Charge0
Average Mass409.450
Monoisotopic Mass409.18624
SMILESCn1nnnc1/C(=N\OCc1cccc(NC(=O)OC(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C20H23N7O3/c1-20(2,3)30-19(28)22-16-12-8-11-15(21-16)13-29-24-17(14-9-6-5-7-10-14)18-23-25-26-27(18)4/h5-12H,13H2,1-4H3,(H,21,22,28)/b24-17-
InChIKeyURHWNXDZOULUHC-ULJHMMPZSA-N
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
picarbutrazox (CHEBI:85627) has role antifungal agrochemical (CHEBI:86328)
picarbutrazox (CHEBI:85627) is a carbamate ester (CHEBI:23003)
picarbutrazox (CHEBI:85627) is a carbamate fungicide (CHEBI:87061)
picarbutrazox (CHEBI:85627) is a oxime O-ether (CHEBI:36816)
picarbutrazox (CHEBI:85627) is a pyridines (CHEBI:26421)
picarbutrazox (CHEBI:85627) is a tetrazoles (CHEBI:35689)
IUPAC Name 
tert-butyl {6-[({(Z)-[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]pyridin-2-yl}carbamate
Synonyms  Source
1,1-dimethylethyl N-[6-[[[(Z)-[(1-methyl-1H-tetrazol-5-yl)phenylmethylene]amino]oxy]methyl]-2-pyridinyl]carbamateAlan Wood's Pesticides
tert-butyl (6-{[(Z)-(1-methyl-1H-5-tetrazolyl)(phenyl)methylene]aminooxymethyl}-2-pyridyl)carbamateAlan Wood's Pesticides
Manual XrefsDatabases
picarbutrazoxAlan Wood's Pesticides
EP2687088Patent
2667PPDB
Registry NumbersSources
Reaxys:11888660Reaxys
CAS:500207-04-5Alan Wood's Pesticides
CAS:500207-04-5ChemIDplus