<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3992</id>
  <title>T3D3937</title>
  <common-name>Tribenuron-methyl</common-name>
  <description>Tribenuron-methyl is the methyl ester of the sulfonylurea herbicide tribenuron and also the form in which tribenuron is used in pesticides. It is used in the cultivation of cereals to combat broadleaf weeds. Similar to other sulfonylureas, the site of action of Tribenuron-methyl is acetolactate synthase (ALS), an enzyme involved in branched-chain amino acid biosynthesis. Sulfonylurea herbicides were discovered by DuPont in 1975 and marketed for the first time in 1982.</description>
  <cas>101200-48-0</cas>
  <pubchem-id>153909</pubchem-id>
  <chemical-formula>C15H17N5O6S</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">2013-04-25T07:56:55Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:34Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10962</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>9678</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB03656</drugbank-id>
  <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>COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N(C)C1=NC(OC)=NC(C)=N1</moldb-smiles>
  <moldb-formula>C15H17N5O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)</moldb-inchi>
  <moldb-inchikey>InChIKey=VLCQZHSMCYCDJL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">395.39</moldb-average-mass>
  <moldb-mono-mass type="decimal">395.089953991</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1229780</chembl-id>
  <chemspider-id>135649</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>
