<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3901</id>
  <title>T3D3846</title>
  <common-name>Flumiclorac-pentyl</common-name>
  <description>Flumiclorac-pentyl is a post-emergence herbicide used against broad-leaved weeds in soybeans and maize</description>
  <cas>87546-18-7</cas>
  <pubchem-id>443048</pubchem-id>
  <chemical-formula>C21H23ClFNO5</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>90°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>0.000189 mg/mL at 25°C</solubility>
  <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">2013-04-25T07:56:51Z</created-at>
  <updated-at type="dateTime">2026-04-03T01:10:36Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10990</kegg-compound-id>
  <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>CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O</moldb-smiles>
  <moldb-formula>C21H23ClFNO5</moldb-formula>
  <moldb-inchi>InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3</moldb-inchi>
  <moldb-inchikey>IRECWLYBCAZIJM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">423.862</moldb-average-mass>
  <moldb-mono-mass type="decimal">423.124878763</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>4.99</logp>
  <hmdb-id>HMDB34860</hmdb-id>
  <chembl-id>CHEMBL1897630</chembl-id>
  <chemspider-id>391348</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002807</chemdb-id>
  <dsstox-id>DTXSID2032554</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00015417</susdat-id>
  <iupac>pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-4-fluorophenoxy]acetate</iupac>
</compound>
