19224 <common-name>Aminoquinuride dihydrochloride</common-name> <description nil="true"/> <cas>5424-37-3</cas> <pubchem-id nil="true"/> <chemical-formula>C21H22Cl2N6O</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">2016-05-22T05:00:39Z</created-at> <updated-at type="dateTime">2026-04-05T18:26:32Z</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>Cl.Cl.CC1=CC(N)=C2C=C(NC(O)=NC3=CC4=C(N)C=C(C)N=C4C=C3)C=CC2=N1</moldb-smiles> <moldb-formula>C21H22Cl2N6O</moldb-formula> <moldb-inchi>InChI=1S/C21H20N6O.2ClH/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H</moldb-inchi> <moldb-inchikey>GKQYGRWQCWWSHN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">445.35</moldb-average-mass> <moldb-mono-mass type="decimal">444.1232148</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>CHEM018119</chemdb-id> <dsstox-id>DTXSID1045083</dsstox-id> <toxcast-id>45083</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00080922</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>122.44000000000001</moldb-polar-surface-area> <moldb-refractivity>113.2343</moldb-refractivity> <moldb-polarizability>41.42215516877261</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>-4.643252220334781</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>15.0000004749988</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>2.73</moldb-alogps-logp> <moldb-alogps-logs>-4.54</moldb-alogps-logs> <moldb-alogps-solubility>1.07e-02 g/l</moldb-alogps-solubility> </compound>