<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3995</id>
  <title>T3D3940</title>
  <common-name>Trifloxysulfuron-sodium</common-name>
  <description>Trifloxysulfuron-sodium belongs to the sulfonylureas, a subclass of organonitrogen compounds within the organic compounds. This exogenous solid has the formula C14H13F3N5NaO6S and an average molecular weight of 459.33 g/mol. It is used as a systemic herbicide for the control of broadleaf weeds found on turf and lawns, such as carpetweed, dandelions, and clover. The compound functions as an ALS inhibitor, preventing plants from producing the enzyme acetolactate synthase (ALS or AHAS), which is essential for the biosynthesis of branched chain amino acids and is not found in animals. Following treatment, susceptible plants cease growth, with death and decomposition occurring over several weeks.

Trifloxysulfuron-sodium has been recorded in drinking water and water supply sources, with oral exposure being the recorded route. Its recorded protein targets include Cytochrome P450 1A2 (CYP1A2), Cytochrome P450 2B6 (CYP2B6), Cytochrome P450 3A4 (CYP3A4), and ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38).</description>
  <cas>199119-58-9</cas>
  <pubchem-id>23676736</pubchem-id>
  <chemical-formula>C14H13F3N5NaO6S</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">2026-04-05T17:06:05Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <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+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1</moldb-smiles>
  <moldb-formula>C14H13F3N5NaO6S</moldb-formula>
  <moldb-inchi>InChI=1S/C14H14F3N5O6S.Na/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17;/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23);/q;+1/p-1</moldb-inchi>
  <moldb-inchikey>UFEIWEXHHOXPGP-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">459.333</moldb-average-mass>
  <moldb-mono-mass type="decimal">459.043633153</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>11677318</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>CHEM002901</chemdb-id>
  <dsstox-id>DTXSID8040222</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00078217</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>138.83</moldb-polar-surface-area>
  <moldb-refractivity>92.34719999999999</moldb-refractivity>
  <moldb-polarizability>35.271984330797984</moldb-polarizability>
  <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count>
  <moldb-acceptor-count>10</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>4.9475330990073125</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>1.685093707513826</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>2.04</moldb-alogps-logp>
  <moldb-alogps-logs>-3.30</moldb-alogps-logs>
  <moldb-alogps-solubility>2.32e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Sulfonylureas</subklass>
  <paper-count type="integer">4</paper-count>
  <sync-id>CED0027954</sync-id>
  <structure-inchikey>UFEIWEXHHOXPGP-UHFFFAOYSA-M</structure-inchikey>
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  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:01Z</structure-indexed-at>
</compound>
