picarbutrazox (CHEBI:85627)

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ChEBI Name	picarbutrazox

ChEBI ID	CHEBI:85627

Definition	An 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is the (Z)-oxime derivative of 1-methyl-1H-tetrazol-5-yl phenyl ketone in which the hydrogen of the hydroxy group has been replaced by the N-tert-butoxycarbonyl derivative of a [6-(Boc-amino)pyridin-2-yl]methyl group.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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H23N7O3

Net Charge

Average Mass

409.44170

Monoisotopic Mass

409.18624

InChI

InChI=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-

InChIKey

URHWNXDZOULUHC-ULJHMMPZSA-N

SMILES

Cn1nnnc1\C(=N/OCc1cccc(NC(=O)OC(C)(C)C)n1)c1ccccc1

Roles Classification
Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via carbamate fungicide )

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via carbamate fungicide )

ChEBI Ontology
Outgoing	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	Sources
1,1-dimethylethyl N-[6-[[[(Z)-[(1-methyl-1H-tetrazol-5-yl)phenylmethylene]amino]oxy]methyl]-2-pyridinyl]carbamate	Alan Wood's Pesticides
tert-butyl (6-{[(Z)-(1-methyl-1H-5-tetrazolyl)(phenyl)methylene]aminooxymethyl}-2-pyridyl)carbamate	Alan Wood's Pesticides

Last Modified

22 July 2015