<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4600</id>
  <title>T3D4546</title>
  <common-name>Trifloxystrobin</common-name>
  <description>Trifloxystrobin is a foliar applied fungicide for cereals which is particularly active against Ascomycetes, Deuteromycetes and Oomycetes. It has a broad spectrum of action with preventative and curative action. It is a respiration inhibitor (QoL fungicide).</description>
  <cas>141517-21-7</cas>
  <pubchem-id>11664966</pubchem-id>
  <chemical-formula>C20H19F3N2O4</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Occupational exposure to trifloxystrobin may occur through inhalation and dermal contact with this compound at workplaces where trifloxystrobin is produced or used.</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism>Major metabolic pathways of trifloxystrobin included 1) hydrolysis of the methyl ester to he corresponding acid, 2) O-demethylation of the methoxyimino group, and 3) oxidation of the methyl side chain to a primary alcohol, followed by further oxidation to the carboxylic acid. Metabolites are excreted in the feces.</metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Exposure to Trifloxystrobin might cause hepatocellular hypertrophy.</health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T06:51:46Z</created-at>
  <updated-at type="dateTime">2026-03-31T19:49:32Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C18562</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CO\N=C(\C(=O)OC)C1=CC=CC=C1CO\N=C(/C)C1=CC(=CC=C1)C(F)(F)F</moldb-smiles>
  <moldb-formula>C20H19F3N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+</moldb-inchi>
  <moldb-inchikey>ONCZDRURRATYFI-TVJDWZFNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">408.3711</moldb-average-mass>
  <moldb-mono-mass type="decimal">408.129691721</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL1897483</chembl-id>
  <chemspider-id>9839700</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003506</chemdb-id>
  <dsstox-id>DTXSID4032580</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010878</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>69.48</moldb-polar-surface-area>
  <moldb-refractivity>100.6219</moldb-refractivity>
  <moldb-polarizability>38.28382680638372</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>2.3675869897809037</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>4.33</moldb-alogps-logp>
  <moldb-alogps-logs>-5.88</moldb-alogps-logs>
  <moldb-alogps-solubility>5.33e-04 g/l</moldb-alogps-solubility>
</compound>
