<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">812</id>
  <title>T3D0811</title>
  <common-name>Acetochlor</common-name>
  <description>Acetochlor is an herbicide developed by Monsanto and Zeneca. It is a member of the class of herbicides known as chloroacetanilides (L920).</description>
  <cas>34256-82-1</cas>
  <pubchem-id>1988</pubchem-id>
  <chemical-formula>C14H20ClNO2</chemical-formula>
  <weight>269.118260</weight>
  <appearance>Thick oily liquid, light amber to violet (A573).</appearance>
  <melting-point>&lt; 0°C</melting-point>
  <boiling-point></boiling-point>
  <density></density>
  <solubility>0.223 mg/mL at 25°C [SHIU,WY et al. (1990)]</solubility>
  <specific-gravity></specific-gravity>
  <flash-point></flash-point>
  <vapour-pressure></vapour-pressure>
  <route-of-exposure>Inhalation  (L919) ; oral  (L919) ; dermal  (L919) ; eye contact (L919)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Its mode of action is elongase inhibition, and inhibition of geranylgeranyl pyrophosphate (GGPP) cyclisation enzymes (L920).</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity>LD50: 2953 mg/kg (Oral, Rat) (T95)
LD50: 3667 mg/kg (Dermal, Rabbit) (T95)</toxicity>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>It is used to control weeds in corn, and is particularly useful as a replacement for atrazine in the case of some important weeds. (L920). </use-source>
  <min-risk-level nil="true"/>
  <health-effects>ARDS/acute lung injury, burns of the esophagus or gastrointestinal tract can result from acetochlor poisoning (T36).</health-effects>
  <symptoms>Acetochlor is mildly irritating to the skin and eyes. Exposure to metalaxyl often results in such nonspecific symptoms as headache, dizziness, weakness, and nausea. Acetochlor poisoning can produce an allergic hypersensitivity dermatitis or asthma with  bronchospasm and wheezing with chronic exposure (T36).</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-06-05T16:53:48Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:22:51Z</updated-at>
  <interacting-proteins>Acetochlore inhibits elongase, and geranylgeranyl pyrophosphate (GGPP) cyclisation enzymes (L920).</interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10925</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>2394</chebi-id>
  <biocyc-id>ALPHA-NAPHTHALENEACETAMIDE</biocyc-id>
  <ctd-id>C043377</ctd-id>
  <stitch-id>Acetochlor</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id>6351</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOCN(C(=O)CCl)C1=C(C)C=CC=C1CC</moldb-smiles>
  <moldb-formula>C14H20ClNO2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3</moldb-inchi>
  <moldb-inchikey>InChIKey=VTNQPKFIQCLBDU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">269.767</moldb-average-mass>
  <moldb-mono-mass type="decimal">269.118256596</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1517425</chembl-id>
  <chemspider-id>1911</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>
