<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4534</id>
  <title>T3D4480</title>
  <common-name>Butralin</common-name>
  <description>Butralin is a dinitroaniline herbicide used as a plant growth regulator on flue-cured and air-cured tobacco. In studies using laboratory animals, butralin generally has been shown to be of low acute toxicity. It has been placed in Toxicity Category III for effects via the oral route of exposure and eye irritation, and Toxicity Category IV for the dermal and inhalation routes. The carcinogenicity classification for butralin has been not determined.</description>
  <cas>33629-47-9</cas>
  <pubchem-id>36565</pubchem-id>
  <chemical-formula>C14H21N3O4</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></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></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></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T06:51:38Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:51Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C18582</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>CCC(C)NC1=C(C=C(C=C1N(=O)=O)C(C)(C)C)N(=O)=O</moldb-smiles>
  <moldb-formula>C14H21N3O4</moldb-formula>
  <moldb-inchi>InChI=1/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3</moldb-inchi>
  <moldb-inchikey>InChIKey=SPNQRCTZKIBOAX-UHFFFAOYNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">295.3342</moldb-average-mass>
  <moldb-mono-mass type="decimal">295.153206175</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL1256669</chembl-id>
  <chemspider-id>33600</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>
