<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3842</id>
  <title>T3D3787</title>
  <common-name>6-Deisopropylatrazine</common-name>
  <description>6-Deisopropylatrazine is a chlorinated degradation product of the herbicide atrazine (6-chloro-N2-ethyl-N4-isopropyl-1, 3,5-triazine-2,4-diamine). Atrazine is a herbicide of the triazine class. Atrazine is used to prevent pre and post-emergence broadleaf weeds in crops such as maize (corn) and sugarcane and on turf, such as golf courses and residential lawns. It is one of the most widely used herbicides in the US and in Australian agriculture.] It was banned in the European Union in 2004 because of persistent groundwater contamination. As of 2001, Atrazine was the most commonly detected pesticide contaminating drinking water in the United States. Studies suggest atrazine is an endocrine disruptor and it is thought that 6-Deisopropylatrazine may also have some endocrine disruptor capacity. Pesticide degradates account for a significant portion of the pesticide/herbicide load in surface water. t is a registered US EPA substance.</description>
  <cas>1007-28-9</cas>
  <pubchem-id>13878</pubchem-id>
  <chemical-formula>C5H8ClN5</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">2013-04-25T07:56:49Z</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>C06556</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>27399</chebi-id>
  <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>CCNC1=NC(N)=NC(Cl)=N1</moldb-smiles>
  <moldb-formula>C5H8ClN5</moldb-formula>
  <moldb-inchi>InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)</moldb-inchi>
  <moldb-inchikey>InChIKey=IVENSCMCQBJAKW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">173.604</moldb-average-mass>
  <moldb-mono-mass type="decimal">173.046822988</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1895845</chembl-id>
  <chemspider-id>13278</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>
