47047 <common-name>Sildenafil, dimethyl (Aildenafil)</common-name> <description nil="true"/> <cas>496835-35-9</cas> <pubchem-id>10141109</pubchem-id> <chemical-formula>C23H32N6O4S</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">2016-06-03T13:50:13Z</created-at> <updated-at type="dateTime">2026-03-26T20:51:49Z</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>[H][C@]1(C)CN(C[C@@]([H])(C)N1)S(=O)(=O)C1=CC(=C(OCC)C=C1)C1=NC2=C(N(C)N=C2CCC)C(=O)N1</moldb-smiles> <moldb-formula>C23H32N6O4S</moldb-formula> <moldb-inchi>InChI=1S/C23H32N6O4S/c1-6-8-18-20-21(28(5)27-18)23(30)26-22(25-20)17-11-16(9-10-19(17)33-7-2)34(31,32)29-12-14(3)24-15(4)13-29/h9-11,14-15,24H,6-8,12-13H2,1-5H3,(H,25,26,30)/t14-,15+</moldb-inchi> <moldb-inchikey>NFSWSZIPXJAYLR-GASCZTMLSA-N</moldb-inchikey> <moldb-average-mass type="decimal">488.61</moldb-average-mass> <moldb-mono-mass type="decimal">488.220574708</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8316620</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>CHEM045942</chemdb-id> <dsstox-id>DTXSID10197970</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009254</stoff-ident-id> <susdat-id>NS00003264</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>117.92</moldb-polar-surface-area> <moldb-refractivity>143.4168</moldb-refractivity> <moldb-polarizability>51.72592951139913</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>7.799583723138329</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.152622213714686</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>1.83</moldb-alogps-logp> <moldb-alogps-logs>-3.41</moldb-alogps-logs> <moldb-alogps-solubility>1.90e-01 g/l</moldb-alogps-solubility> </compound>