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<compound>
  <id type="integer">3950</id>
  <title>T3D3895</title>
  <common-name>Oxasulfuron</common-name>
  <description>Oxasulfuron is an exogenous organic compound with the formula C17H18N4O6S and an average molecular weight of 406.41 g/mol. It exists as a solid at room temperature. Oxasulfuron belongs to the sulfonylureas, a subclass of organonitrogen compounds within the organic compounds.

The compound is associated with two recorded sources: electrical and electronic equipment (video games) and building and construction (floors). In biological contexts, oxasulfuron has two recorded protein targets: urokinase plasminogen activator surface receptor (PLAUR) and tumor necrosis factor receptor superfamily member 5 (CD40).</description>
  <cas>144651-06-9</cas>
  <pubchem-id>86443</pubchem-id>
  <chemical-formula>C17H18N4O6S</chemical-formula>
  <weight>406.4</weight>
  <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">2013-04-25T07:56:53Z</created-at>
  <updated-at type="dateTime">2026-08-19T20:03:28Z</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>CC1=CC(C)=NC(NC(=O)NS(=O)(=O)C2=C(C=CC=C2)C(=O)OC2COC2)=N1</moldb-smiles>
  <moldb-formula>C17H18N4O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)</moldb-inchi>
  <moldb-inchikey>IOXAXYHXMLCCJJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">406.413</moldb-average-mass>
  <moldb-mono-mass type="decimal">406.094705018</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>1.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1903152</chembl-id>
  <chemspider-id>77958</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>CHEM002856</chemdb-id>
  <dsstox-id>DTXSID4034364</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010347</susdat-id>
  <iupac>oxetan-3-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate</iupac>
  <moldb-polar-surface-area>136.57999999999998</moldb-polar-surface-area>
  <moldb-refractivity>99.4769</moldb-refractivity>
  <moldb-polarizability>40.12802856428908</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>7</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.497998337584404</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>2.331687463684429</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>1.52</moldb-alogps-logp>
  <moldb-alogps-logs>-4.20</moldb-alogps-logs>
  <moldb-alogps-solubility>2.58e-02 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>CED0026409</sync-id>
  <structure-inchikey>IOXAXYHXMLCCJJ-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:00:59Z</structure-indexed-at>
</compound>
