47072 <common-name>Benzamidenafil</common-name> <description>Benzamidenafil belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C19H23N3O6 and an average molecular weight of 389.41 g/mol. This compound is further classified within the superclass of benzenoids.</description> <cas>1020251-53-9</cas> <pubchem-id>10110873</pubchem-id> <chemical-formula>C19H23N3O6</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">2016-06-03T13:51:45Z</created-at> <updated-at type="dateTime">2026-03-26T22:40:39Z</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>COC1=C(OC)C=C(CN=C(O)C2=C(NC(C)CO)C=CC(=C2)N(=O)=O)C=C1</moldb-smiles> <moldb-formula>C19H23N3O6</moldb-formula> <moldb-inchi>InChI=1S/C19H23N3O6/c1-12(11-23)21-16-6-5-14(22(25)26)9-15(16)19(24)20-10-13-4-7-17(27-2)18(8-13)28-3/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,24)</moldb-inchi> <moldb-inchikey>ZISFCTXLAXIEMV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">389.408</moldb-average-mass> <moldb-mono-mass type="decimal">389.158685473</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8286399</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>CHEM045967</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009297</stoff-ident-id> <susdat-id>NS00004682</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>129.13</moldb-polar-surface-area> <moldb-refractivity>106.32339999999998</moldb-refractivity> <moldb-polarizability>40.09652236928487</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>7.498035581041162</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.2945232335779018</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.49</moldb-alogps-logp> <moldb-alogps-logs>-4.08</moldb-alogps-logs> <moldb-alogps-solubility>3.23e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0049508</sync-id> <structure-inchikey>ZISFCTXLAXIEMV-UHFFFAOYSA-N</structure-inchikey> 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