<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3858</id>
  <title>T3D3803</title>
  <common-name>Butafenacil</common-name>
  <description>Butafenacil is a herbicide belonging to the pyrimidindione chemical class. Butafenacil is intended for use as a cotton defoliant. Subchronic toxicity caused by butafenacil is characterized primarily by hematological effects such as, decreased hemoglobin, hematocrit, mean corpuscular hemoglobin (MCH), and mean corpuscular volume (MCV), and increased red cell volume.</description>
  <cas>134605-64-4</cas>
  <pubchem-id>11826859</pubchem-id>
  <chemical-formula>C20H18ClF3N2O6</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <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 nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:50Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:32Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(C(=O)OC(C)(C)C(=O)OCC=C)=C(Cl)C=C1</moldb-smiles>
  <moldb-formula>C20H18ClF3N2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3</moldb-inchi>
  <moldb-inchikey>InChIKey=JEDYYFXHPAIBGR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">474.815</moldb-average-mass>
  <moldb-mono-mass type="decimal">474.08054864</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1867342</chembl-id>
  <chemspider-id>10001509</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"/>
</compound>
