19292 <common-name>Propafenone</common-name> <description nil="true"/> <cas>54063-53-5</cas> <pubchem-id>4932</pubchem-id> <chemical-formula>C21H27NO3</chemical-formula> <weight>341.4</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">2016-05-22T05:03:16Z</created-at> <updated-at type="dateTime">2026-08-21T19:37:02Z</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>DB01182</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>CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C21H27NO3</moldb-formula> <moldb-inchi>InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3</moldb-inchi> <moldb-inchikey>JWHAUXFOSRPERK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">341.444</moldb-average-mass> <moldb-mono-mass type="decimal">341.199093735</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.54</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4763</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>CHEM018187</chemdb-id> <dsstox-id>DTXSID9045184</dsstox-id> <toxcast-id>45184</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010400</susdat-id> <iupac>1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one</iupac> <moldb-polar-surface-area>58.56</moldb-polar-surface-area> <moldb-refractivity>100.20640000000003</moldb-refractivity> <moldb-polarizability>39.74880850778689</moldb-polarizability> <moldb-rotatable-bond-count>11</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>14.085882553836743</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.63308700825053</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.10</moldb-alogps-logp> <moldb-alogps-logs>-4.65</moldb-alogps-logs> <moldb-alogps-solubility>7.58e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Linear 1,3-diarylpropanoids</klass> <subklass nil="true"/> <paper-count type="integer">5090</paper-count> <sync-id>CED0019292</sync-id> </compound>