46328 <common-name>taurolidine</common-name> <description nil="true"/> <cas>19388-87-5</cas> <pubchem-id>29566</pubchem-id> <chemical-formula>C7H16N4O4S2</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">2016-06-03T12:57:08Z</created-at> <updated-at type="dateTime">2026-05-14T19:22:00Z</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>DB12473</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>O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1</moldb-smiles> <moldb-formula>C7H16N4O4S2</moldb-formula> <moldb-inchi>InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2</moldb-inchi> <moldb-inchikey>AJKIRUJIDFJUKJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">284.35</moldb-average-mass> <moldb-mono-mass type="decimal">284.061297359</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>27486</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>CHEM045223</chemdb-id> <dsstox-id>DTXSID00173001</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>UBA</stoff-ident-origin> <stoff-ident-id>SI00007569</stoff-ident-id> <susdat-id>NS00005236</susdat-id> <iupac>4-[(1,1-dioxo-1lambda6,2,4-thiadiazinan-4-yl)methyl]-1lambda6,2,4-thiadiazinane-1,1-dione</iupac> <moldb-polar-surface-area>98.82</moldb-polar-surface-area> <moldb-refractivity>60.734500000000004</moldb-refractivity> <moldb-polarizability>26.079476660002886</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>10.531590018011977</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.973166023229091</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-2.07</moldb-alogps-logp> <moldb-alogps-logs>-1.25</moldb-alogps-logs> <moldb-alogps-solubility>1.62e+01 g/l</moldb-alogps-solubility> </compound>