20744 <common-name>Caramiphen edisylate</common-name> <description nil="true"/> <cas>125-86-0</cas> <pubchem-id>6431779</pubchem-id> <chemical-formula>C38H60N2O10S2</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">2016-05-22T06:21:37Z</created-at> <updated-at type="dateTime">2026-04-03T12:56:45Z</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>OS(=O)(=O)CCS(O)(=O)=O.CCN(CC)CCOC(=O)C1(CCCC1)C1=CC=CC=C1.CCN(CC)CCOC(=O)C1(CCCC1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C38H60N2O10S2</moldb-formula> <moldb-inchi>InChI=1S/2C18H27NO2.C2H6O6S2/c2*1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;3-9(4,5)1-2-10(6,7)8/h2*5-7,10-11H,3-4,8-9,12-15H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)</moldb-inchi> <moldb-inchikey>BANIDACEBXZGNK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">769.02</moldb-average-mass> <moldb-mono-mass type="decimal">768.368938488</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>451329</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>CHEM019639</chemdb-id> <dsstox-id>DTXSID9047835</dsstox-id> <toxcast-id>47835</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024032</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>29.540000000000003</moldb-polar-surface-area> <moldb-refractivity>86.12629999999997</moldb-refractivity> <moldb-polarizability>34.33582668683756</moldb-polarizability> <moldb-rotatable-bond-count>19</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>8.962043829548204</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.31</moldb-alogps-logp> <moldb-alogps-logs>-3.82</moldb-alogps-logs> <moldb-alogps-solubility>4.37e-02 g/l</moldb-alogps-solubility> </compound>