<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3920</id>
  <title>T3D3865</title>
  <common-name>Iodosulfuron-methyl-sodium</common-name>
  <description>Iodosulfuron-methyl-sodium is a broad spectrum, post-emergence herbicide used throughout the world for treating wheat and other cereals. It is classified as an imidazolinone herbicide. Iodosulfuron-methyl-sodium inhibits the acetohydroxy acid synthase (AHAS) enzyme which is responsible for the synthesis of the branched chain amino acids valine, leucine, and isoleucine. When applied, Iodosulfuron-methyl-sodium halts weed growth which eventually kills the weed or causes the weed to die due to its incapability to compete with surrounding vegetation.</description>
  <cas>144550-36-7</cas>
  <pubchem-id>16760189</pubchem-id>
  <chemical-formula>C14H13IN5NaO6S</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">2013-04-25T07:56:52Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:33Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18431</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>[Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)[N-]C(=O)NC1=NC(OC)=NC(C)=N1</moldb-smiles>
  <moldb-formula>C14H13IN5NaO6S</moldb-formula>
  <moldb-inchi>InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);/q;+1/p-1</moldb-inchi>
  <moldb-inchikey>InChIKey=JUJFQMPKBJPSFZ-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">529.242</moldb-average-mass>
  <moldb-mono-mass type="decimal">528.952891958</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>10687833</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>
