18976 <common-name>Efonidipine</common-name> <description nil="true"/> <cas>111011-63-3</cas> <pubchem-id>9830707</pubchem-id> <chemical-formula>C34H38N3O7P</chemical-formula> <weight>631.7</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">2016-05-22T04:42:29Z</created-at> <updated-at type="dateTime">2026-08-22T11:30:45Z</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>DB09235</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>CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C34H38N3O7P</moldb-formula> <moldb-inchi>InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3</moldb-inchi> <moldb-inchikey>NSVFSAJIGAJDMR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">631.666</moldb-average-mass> <moldb-mono-mass type="decimal">631.244737574</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.44</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM017871</chemdb-id> <dsstox-id>DTXSID9043988</dsstox-id> <toxcast-id>43988</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00072213</susdat-id> <iupac>2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ⁵-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate</iupac> <moldb-polar-surface-area>120.24000000000001</moldb-polar-surface-area> <moldb-refractivity>175.4000999999999</moldb-refractivity> <moldb-polarizability>64.96417822259099</moldb-polarizability> <moldb-rotatable-bond-count>11</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>19.490358417518895</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.3323812981454655</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>5.35</moldb-alogps-logp> <moldb-alogps-logs>-6.41</moldb-alogps-logs> <moldb-alogps-solubility>2.48e-04 g/l</moldb-alogps-solubility> </compound>