<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4568</id>
  <title>T3D4514</title>
  <common-name>Hexaconazole</common-name>
  <description>Hexaconazole is a systemic conazole (imidazole) fungicide used for the control of many seed-borne and soil-borne diseases and fungi particularly Ascomycetes and Basidiomycetes. It is commonly used in the control of apple, coffee and peanut diseases. It has a broad spectrum of action, being systemic with protective and curative action. It is known to disrupt membrane function.</description>
  <cas>79983-71-4</cas>
  <pubchem-id>66461</pubchem-id>
  <chemical-formula>C14H17Cl2N3O</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 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">2014-08-29T06:51:43Z</created-at>
  <updated-at type="dateTime">2026-04-06T04:07:41Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18466</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>CCCCC(O)(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1</moldb-smiles>
  <moldb-formula>C14H17Cl2N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3</moldb-inchi>
  <moldb-inchikey>STMIIPIFODONDC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">314.21</moldb-average-mass>
  <moldb-mono-mass type="decimal">313.074867595</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1898860</chembl-id>
  <chemspider-id>59833</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"/>
  <chemdb-id>CHEM003474</chemdb-id>
  <dsstox-id>DTXSID4034653</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00098678</susdat-id>
  <iupac>2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol</iupac>
</compound>
