47031 <common-name>Acetildenafil</common-name> <description>Acetildenafil belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C25H34N6O3 and an average molecular weight of 466.59 g/mol. The compound is further classified as part of the organic oxygen compounds superclass.</description> <cas>831217-01-7</cas> <pubchem-id>29918992</pubchem-id> <chemical-formula>C25H34N6O3</chemical-formula> <weight>466.6</weight> <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">2016-06-03T13:49:22Z</created-at> <updated-at type="dateTime">2026-08-22T05:26:10Z</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>CCCC1=NN(C)C2=C1N=C(NC2=O)C1=C(OCC)C=CC(=C1)C(=O)CN1CCN(CC)CC1</moldb-smiles> <moldb-formula>C25H34N6O3</moldb-formula> <moldb-inchi>InChI=1S/C25H34N6O3/c1-5-8-19-22-23(29(4)28-19)25(33)27-24(26-22)18-15-17(9-10-21(18)34-7-3)20(32)16-31-13-11-30(6-2)12-14-31/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,26,27,33)</moldb-inchi> <moldb-inchikey>RRBRQNALHKQCAI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">466.586</moldb-average-mass> <moldb-mono-mass type="decimal">466.269238979</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>23976138</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>CHEM045926</chemdb-id> <dsstox-id>DTXSID10232178</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009231</stoff-ident-id> <susdat-id>NS00005613</susdat-id> <iupac>5-[2-ethoxy-5-[2-(4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one</iupac> <moldb-polar-surface-area>92.06000000000002</moldb-polar-surface-area> <moldb-refractivity>146.503</moldb-refractivity> <moldb-polarizability>51.13646988509456</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>7.735413330962555</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>6.984348514670652</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>2.82</moldb-alogps-logp> <moldb-alogps-logs>-3.35</moldb-alogps-logs> <moldb-alogps-solubility>2.07e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">6661</paper-count> <sync-id>CED0003857</sync-id> <structure-inchikey>RRBRQNALHKQCAI-UHFFFAOYSA-N</structure-inchikey> 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