19278 <common-name>Loperamide</common-name> <description nil="true"/> <cas>53179-11-6</cas> <pubchem-id>3955</pubchem-id> <chemical-formula>C29H33ClN2O2</chemical-formula> <weight>477</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">2016-05-22T05:02:38Z</created-at> <updated-at type="dateTime">2026-08-22T09:03:25Z</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>DB00836</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>CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C29H33ClN2O2</moldb-formula> <moldb-inchi>InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3</moldb-inchi> <moldb-inchikey>RDOIQAHITMMDAJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">477.038</moldb-average-mass> <moldb-mono-mass type="decimal">476.223056017</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.77</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3818</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>CHEM018173</chemdb-id> <dsstox-id>DTXSID6045165</dsstox-id> <toxcast-id>45165</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00002516</susdat-id> <iupac>4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide</iupac> <moldb-polar-surface-area>43.78</moldb-polar-surface-area> <moldb-refractivity>139.31900000000002</moldb-refractivity> <moldb-polarizability>52.59475664282138</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>13.964882601505003</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.409298603197188</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.44</moldb-alogps-logp> <moldb-alogps-logs>-5.74</moldb-alogps-logs> <moldb-alogps-solubility>8.60e-04 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" nil="true"/> <sync-id>CED0019278</sync-id> </compound>