23384 <common-name>Bevantolol</common-name> <description nil="true"/> <cas>59170-23-9</cas> <pubchem-id>13591018</pubchem-id> <chemical-formula>C20H27NO4</chemical-formula> <weight>345.4</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">2016-05-25T18:26:38Z</created-at> <updated-at type="dateTime">2026-08-20T06:27:58Z</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>DB01295</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>COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1</moldb-smiles> <moldb-formula>C20H27NO4</moldb-formula> <moldb-inchi>InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3</moldb-inchi> <moldb-inchikey>HXLAFSUPPDYFEO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">345.4327</moldb-average-mass> <moldb-mono-mass type="decimal">345.194008357</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.03</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>CHEM022279</chemdb-id> <dsstox-id>DTXSID70860597</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00068610</susdat-id> <iupac>1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol</iupac> <moldb-polar-surface-area>59.95</moldb-polar-surface-area> <moldb-refractivity>98.54330000000002</moldb-refractivity> <moldb-polarizability>39.74763139047663</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>14.088176278612249</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.313843379547583</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.83</moldb-alogps-logp> <moldb-alogps-logs>-4.40</moldb-alogps-logs> <moldb-alogps-solubility>1.37e-02 g/l</moldb-alogps-solubility> </compound>