8633 <common-name>SODIUM STEARYL FUMARATE</common-name> <description nil="true"/> <cas>4070-80-8</cas> <pubchem-id nil="true"/> <chemical-formula>C22H39NaO4</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">2016-05-19T02:26:57Z</created-at> <updated-at type="dateTime">2026-04-05T19:40:19Z</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>[Na+].CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C([O-])=O</moldb-smiles> <moldb-formula>C22H39NaO4</moldb-formula> <moldb-inchi>InChI=1S/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h18-19H,2-17,20H2,1H3,(H,23,24);/q;+1/p-1/b19-18+;</moldb-inchi> <moldb-inchikey>STFSJTPVIIDAQX-LTRPLHCISA-M</moldb-inchikey> <moldb-average-mass type="decimal">390.5324</moldb-average-mass> <moldb-mono-mass type="decimal">390.274604411</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM007528</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00083279</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>66.42999999999999</moldb-polar-surface-area> <moldb-refractivity>118.5008</moldb-refractivity> <moldb-polarizability>47.10586322940034</moldb-polarizability> <moldb-rotatable-bond-count>20</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>3.5486803345261393</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.835285634486588</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>8.39</moldb-alogps-logp> <moldb-alogps-logs>-7.08</moldb-alogps-logs> <moldb-alogps-solubility>3.28e-05 g/l</moldb-alogps-solubility> </compound>