23452 <common-name>Sodium stibogluconate</common-name> <description>Sodium stibogluconate is a compound with the formula C12H39Na3O26Sb2. Sodium stibogluconate belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 911.91 g/mol, Sodium stibogluconate is a heavy molecule. Regarding its biological activity, one protein target has been recorded for this compound, as it acts as an inhibitor of DNA topoisomerase 1 (TOP1).</description> <cas>16037-91-5</cas> <pubchem-id nil="true"/> <chemical-formula>C12H39Na3O26Sb2</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">2016-05-25T18:29:09Z</created-at> <updated-at type="dateTime">2026-05-14T18:15:30Z</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>DB05630</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.O.O.O.O.O.O.O.O.O.[OH-].[OH-].[Na+].[Na+].[Na+].[Sb+3].[SbH+4].[H][C@@](O)(CO)[C@@]([H])([O-])[C@]([H])([O-])[C@@]([H])([O-])C([O-])=O.[H][C@@](O)(CO)[C@@]([H])([O-])[C@]([H])([O-])[C@@]([H])([O-])C([O-])=O</moldb-smiles> <moldb-formula>C12H39Na3O26Sb2</moldb-formula> <moldb-inchi>InChI=1S/2C6H9O7.3Na.12H2O.2Sb.H/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;12*1H2;;;/q2*-3;3*+1;;;;;;;;;;;;;+3;+4;/p-4/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;;/m11................../s1</moldb-inchi> <moldb-inchikey>PPYDIYOAUZOMCY-KXOPFSNDSA-J</moldb-inchikey> <moldb-average-mass type="decimal">911.907</moldb-average-mass> <moldb-mono-mass type="decimal">909.94988</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3.4</logp> <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>CHEM022347</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00124327</susdat-id> <iupac>trisodium (3R,4S,5R)-1-{[(3R,4S,5R)-3-carboxylato-5-[(1R)-1,2-dihydroxyethyl]-1-oxido-2,6,7-trioxa-1-stibabicyclo[2.2.1]heptan-1-yl]oxy}-5-[(1R)-1,2-dihydroxyethyl]-1-hydroxy-2,6,7-trioxa-1-stibabicyclo[2.2.1]heptane-3-carboxylate nonahydrate</iupac> <moldb-polar-surface-area>149.77</moldb-polar-surface-area> <moldb-refractivity>80.759</moldb-refractivity> <moldb-polarizability>15.688446354805063</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>3.3882055743218547</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.974220927705365</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-0.61</moldb-alogps-logp> <moldb-alogps-logs>-1.05</moldb-alogps-logs> <moldb-alogps-solubility>5.77e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbohydrates and carbohydrate conjugates</subklass> <paper-count type="integer">783</paper-count> <sync-id>CED0005315</sync-id> <structure-inchikey>PPYDIYOAUZOMCY-KXOPFSNDSA-J</structure-inchikey> <structure-fingerprint>40000000000000000000800000000100000000000000000000000002100000000000000002000000000000000004000000000000000000000040020020000000000000000000000000000000008000000020000000000000001000000000000000000200010000010000000200000080000000000000000000000000000000000000000000000000000000000000000000000000040040040020000000000000010000020000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> 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