17847 <common-name>Isopropamide</common-name> <description nil="true"/> <cas>7492-32-2</cas> <pubchem-id>3775</pubchem-id> <chemical-formula>C23H33N2O</chemical-formula> <weight>353.5</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">2016-05-22T03:42:06Z</created-at> <updated-at type="dateTime">2026-08-22T01:45:03Z</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>DB01625</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>CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C</moldb-smiles> <moldb-formula>C23H33N2O</moldb-formula> <moldb-inchi>InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1</moldb-inchi> <moldb-inchikey>JTPUMZTWMWIVPA-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal">353.5209</moldb-average-mass> <moldb-mono-mass type="decimal">353.259288688</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.14</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3643</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>CHEM016742</chemdb-id> <dsstox-id>DTXSID9023174</dsstox-id> <toxcast-id>23174</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00008406</susdat-id> <iupac>(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium</iupac> <moldb-polar-surface-area>43.09</moldb-polar-surface-area> <moldb-refractivity>120.74270000000003</moldb-refractivity> <moldb-polarizability>41.27910866295463</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>16.31484423473715</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.336031877848176</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.27</moldb-alogps-logp> <moldb-alogps-logs>-6.96</moldb-alogps-logs> <moldb-alogps-solubility>4.24e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Diphenylmethanes</subklass> <paper-count type="integer">110</paper-count> <sync-id>CED0018495</sync-id> </compound>