46338 <common-name>topotecan</common-name> <description nil="true"/> <cas>123948-87-8</cas> <pubchem-id>60700</pubchem-id> <chemical-formula>C23H23N3O5</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">2016-06-03T12:57:51Z</created-at> <updated-at type="dateTime">2026-05-14T16:56:16Z</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>DB01030</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>CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O</moldb-smiles> <moldb-formula>C23H23N3O5</moldb-formula> <moldb-inchi>InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1</moldb-inchi> <moldb-inchikey>UCFGDBYHRUNTLO-QHCPKHFHSA-N</moldb-inchikey> <moldb-average-mass type="decimal">421.4458</moldb-average-mass> <moldb-mono-mass type="decimal">421.163770861</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.33</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>54705</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>CHEM045233</chemdb-id> <dsstox-id>DTXSID3042685</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>UBA</stoff-ident-origin> <stoff-ident-id>SI00007606</stoff-ident-id> <susdat-id>NS00003193</susdat-id> <iupac>(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione</iupac> <moldb-polar-surface-area>103.19999999999999</moldb-polar-surface-area> <moldb-refractivity>115.0161</moldb-refractivity> <moldb-polarizability>44.85931866430069</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>8.003999445526812</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.826297371129254</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>1.84</moldb-alogps-logp> <moldb-alogps-logs>-2.69</moldb-alogps-logs> <moldb-alogps-solubility>8.61e-01 g/l</moldb-alogps-solubility> </compound>