<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">289211</id>
  <title nil="true"/>
  <common-name>Ethyl n-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]carbamate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3067695</pubchem-id>
  <chemical-formula>C13H20N2O6S</chemical-formula>
  <weight>332.37</weight>
  <appearance nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-28T02:34:43Z</created-at>
  <updated-at type="dateTime">2026-08-28T02:34:43Z</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>CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO</moldb-smiles>
  <moldb-formula>C13H20N2O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C13H20N2O6S/c1-2-21-13(18)14-11-3-5-12(6-4-11)22(19,20)15(7-9-16)8-10-17/h3-6,16-17H,2,7-10H2,1H3,(H,14,18)</moldb-inchi>
  <moldb-inchikey>WBPHOQRNQWATTA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">332.1042075</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM285104</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Ethyl n-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]carbamate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylcarbamic acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0240906</sync-id>
  <structure-inchikey>WBPHOQRNQWATTA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000800000000000000010000000000140000002000000001000002002000001000000060000000000000000000000000000004000000000000000000000000000000000000000000020000000000100001000000000000000000000010100000010000000004000000000000000000000000000000000000000000040000400000000000000000080000000000000000000020000000000000000000002800000000000080000000000000000000000080000000000000000000000000000000000000000000000000000000000002000000202000000000000008000000000000040000000000400000021000000000008000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h�������� ������(�������(������� ������`�������`�������`�������`�������`�������`�������������� ��(��� �� ��h���h��	h�	
h�
�h�	��������������������������������h�B�������
	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:02:10Z</structure-indexed-at>
</compound>
