20235 <common-name>Nilvadipine</common-name> <description nil="true"/> <cas>75530-68-6</cas> <pubchem-id>4494</pubchem-id> <chemical-formula>C19H19N3O6</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">2016-05-22T05:50:52Z</created-at> <updated-at type="dateTime">2026-05-14T18:23:05Z</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>DB06712</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>COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N</moldb-smiles> <moldb-formula>C19H19N3O6</moldb-formula> <moldb-inchi>InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3</moldb-inchi> <moldb-inchikey>FAIIFDPAEUKBEP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">385.3707</moldb-average-mass> <moldb-mono-mass type="decimal">385.127385355</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.24</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4338</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>CHEM019130</chemdb-id> <dsstox-id>DTXSID2046624</dsstox-id> <toxcast-id>46624</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00003603</susdat-id> <iupac>3-methyl 5-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate</iupac> <moldb-polar-surface-area>134.23999999999998</moldb-polar-surface-area> <moldb-refractivity>101.79760000000002</moldb-refractivity> <moldb-polarizability>37.54152953866276</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-0.57259310117945</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.97</moldb-alogps-logp> <moldb-alogps-logs>-4.49</moldb-alogps-logs> <moldb-alogps-solubility>1.24e-02 g/l</moldb-alogps-solubility> </compound>