<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">18677</id>
  <title nil="true"/>
  <common-name>Fluocinolone acetonide</common-name>
  <description nil="true"/>
  <cas>67-73-2</cas>
  <pubchem-id>6215</pubchem-id>
  <chemical-formula>C24H30F2O6</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-22T04:28:13Z</created-at>
  <updated-at type="dateTime">2026-05-14T16:43:16Z</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>DB00591</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>[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO</moldb-smiles>
  <moldb-formula>C24H30F2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1</moldb-inchi>
  <moldb-inchikey>FEBLZLNTKCEFIT-VSXGLTOVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">452.4882</moldb-average-mass>
  <moldb-mono-mass type="decimal">452.201045102</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>5980</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>CHEM017572</chemdb-id>
  <dsstox-id>DTXSID0040674</dsstox-id>
  <toxcast-id>40674</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00008944</susdat-id>
  <iupac>(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one</iupac>
  <moldb-polar-surface-area>93.06</moldb-polar-surface-area>
  <moldb-refractivity>111.4132</moldb-refractivity>
  <moldb-polarizability>44.96722905022066</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>6</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>13.351800608053178</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.332086186104937</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>5</moldb-number-of-rings>
  <moldb-alogps-logp>2.47</moldb-alogps-logp>
  <moldb-alogps-logs>-3.92</moldb-alogps-logs>
  <moldb-alogps-solubility>5.47e-02 g/l</moldb-alogps-solubility>
</compound>
