21344 <common-name>Sulprostone</common-name> <description nil="true"/> <cas>60325-46-4</cas> <pubchem-id>5312153</pubchem-id> <chemical-formula>C23H31NO7S</chemical-formula> <weight>465.6</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">2016-05-22T06:56:58Z</created-at> <updated-at type="dateTime">2026-08-22T01:43:24Z</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>DB12708</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(CCCC(O)=NS(C)(=O)=O)=C(/[H])C[C@@]1([H])C(=O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@]([H])(O)COC1=CC=CC=C1</moldb-smiles> <moldb-formula>C23H31NO7S</moldb-formula> <moldb-inchi>InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19+,20+,22+/m0/s1</moldb-inchi> <moldb-inchikey>UQZVCDCIMBLVNR-LRGCSWIWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">465.56</moldb-average-mass> <moldb-mono-mass type="decimal">465.182123516</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.33</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>29342149</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>CHEM020239</chemdb-id> <dsstox-id>DTXSID5049029</dsstox-id> <toxcast-id>49029</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010107</susdat-id> <iupac>(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxybut-1-en-1-yl]-5-oxocyclopentyl]-N-methanesulfonylhept-5-enamide</iupac> <moldb-polar-surface-area>133.48999999999998</moldb-polar-surface-area> <moldb-refractivity>122.22249999999995</moldb-refractivity> <moldb-polarizability>49.242077023900094</moldb-polarizability> <moldb-rotatable-bond-count>11</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>7.021928648060094</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.6864735985402635</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.64</moldb-alogps-logp> <moldb-alogps-logs>-4.03</moldb-alogps-logs> <moldb-alogps-solubility>4.39e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Eicosanoids</subklass> <paper-count type="integer" nil="true"/> </compound>