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<compound>
  <id type="integer">135513</id>
  <title nil="true"/>
  <common-name>Henagliflozin</common-name>
  <description>Henagliflozin belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C22H24ClFO7 and an average molecular weight of 454.88 g/mol.</description>
  <cas>1623804-44-3</cas>
  <pubchem-id>56832738</pubchem-id>
  <chemical-formula>C22H24ClFO7</chemical-formula>
  <weight>454.9</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">2026-04-14T18:30:37Z</created-at>
  <updated-at type="dateTime">2026-08-21T22:10:54Z</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>DB11939</drugbank-id>
  <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>CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1F</moldb-smiles>
  <moldb-formula>C22H24ClFO7</moldb-formula>
  <moldb-inchi>InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22+/m0/s1</moldb-inchi>
  <moldb-inchikey>HYTPDMFFHVZBOR-VNXMGFANSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">454.88</moldb-average-mass>
  <moldb-mono-mass type="decimal">454.119459</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.46</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>CHEM131406</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>(1R,2S,3S,4R,5R)-5-{4-chloro-3-[(4-ethoxy-3-fluorophenyl)methyl]phenyl}-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol</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>Diphenylmethanes</subklass>
  <paper-count type="integer">80</paper-count>
  <sync-id>CED0020400</sync-id>
  <structure-inchikey>HYTPDMFFHVZBOR-VNXMGFANSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:49:36Z</structure-indexed-at>
</compound>
