25389 <common-name>Quinine sulfate</common-name> <description nil="true"/> <cas>804-63-7</cas> <pubchem-id>82204</pubchem-id> <chemical-formula>C40H50N4O8S</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">2016-05-25T21:36:33Z</created-at> <updated-at type="dateTime">2026-04-06T01:03:25Z</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)=O.COC1=CC=C2N=CC=C([C@@H](O)[C@@H]3CC4CCN3C[C@@H]4C=C)C2=C1.COC1=CC=C2N=CC=C([C@@H](O)[C@@H]3CC4CCN3C[C@@H]4C=C)C2=C1</moldb-smiles> <moldb-formula>C40H50N4O8S</moldb-formula> <moldb-inchi>InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14?,19-,20+;/m00./s1</moldb-inchi> <moldb-inchikey>RONWGALEIBILOG-PLYVKUMQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">746.912</moldb-average-mass> <moldb-mono-mass type="decimal">746.334935286</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>74186</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>CHEM024284</chemdb-id> <dsstox-id>DTXSID00948190</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00093509</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>45.59</moldb-polar-surface-area> <moldb-refractivity>94.6936</moldb-refractivity> <moldb-polarizability>36.076247497105776</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>13.892048067691277</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.045547511829293</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>8</moldb-number-of-rings> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> </compound>