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<compound>
  <id type="integer">19702</id>
  <title nil="true"/>
  <common-name>Althiazide</common-name>
  <description>Althiazide is an organic compound with the formula C11H14ClN3O4S3 and an average molecular weight of 383.88 g/mol. Althiazide belongs to the benzothiadiazines, a subclass of thiadiazines within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds. This substance has been identified in or released from one recorded source, specifically household cleaning and consumer products such as tobacco smoke filters.</description>
  <cas>5588-16-9</cas>
  <pubchem-id>2122</pubchem-id>
  <chemical-formula>C11H14ClN3O4S3</chemical-formula>
  <weight>383.9</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">2016-05-22T05:22:26Z</created-at>
  <updated-at type="dateTime">2026-08-18T10:02:22Z</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>NS(=O)(=O)C1=CC2=C(NC(CSCC=C)NS2(=O)=O)C=C1Cl</moldb-smiles>
  <moldb-formula>C11H14ClN3O4S3</moldb-formula>
  <moldb-inchi>InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)</moldb-inchi>
  <moldb-inchikey>VGLGVJVUHYTIIU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">383.88</moldb-average-mass>
  <moldb-mono-mass type="decimal">382.9834972</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>2037</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM018597</chemdb-id>
  <dsstox-id>DTXSID3045857</dsstox-id>
  <toxcast-id>45857</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005608</susdat-id>
  <iupac>6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide</iupac>
  <moldb-polar-surface-area>118.35999999999999</moldb-polar-surface-area>
  <moldb-refractivity>89.48589999999997</moldb-refractivity>
  <moldb-polarizability>36.25674301624143</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>9.051267572721596</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.9824004207998263</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>1.15</moldb-alogps-logp>
  <moldb-alogps-logs>-2.96</moldb-alogps-logs>
  <moldb-alogps-solubility>4.16e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Thiadiazines</klass>
  <subklass>Benzothiadiazines</subklass>
  <paper-count type="integer">42</paper-count>
  <sync-id>CED0030097</sync-id>
  <structure-inchikey>VGLGVJVUHYTIIU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000800000000800000000000000000040010000000000080000000000040000000000020002000000800000000000000000040000000000000000000000400000000000000040000020000000001200000000000000000000000000200000004080000440100000000000000008004000000040000000100000000000000000000010200040000000001000000080000000000000000000002000000000000000000200080000000000000000000000080000000000000000000000000080800100000100040020000010000000000000000004000000000000000000000000000040000000000800000008000000020000000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:07:45Z</structure-indexed-at>
</compound>
