44490 <common-name>denaverine</common-name> <description nil="true"/> <cas>3579-62-2</cas> <pubchem-id>71130</pubchem-id> <chemical-formula>C24H33NO3</chemical-formula> <weight nil="true"/> <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">2016-06-03T10:52:04Z</created-at> <updated-at type="dateTime">2026-04-15T17:43:43Z</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>DB21006</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>CCCC(CC)OC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C24H33NO3</moldb-formula> <moldb-inchi>InChI=1S/C24H33NO3/c1-5-13-22(6-2)28-24(20-14-9-7-10-15-20,21-16-11-8-12-17-21)23(26)27-19-18-25(3)4/h7-12,14-17,22H,5-6,13,18-19H2,1-4H3</moldb-inchi> <moldb-inchikey>UDUXZOBMNQFDCP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">383.532</moldb-average-mass> <moldb-mono-mass type="decimal">383.246043927</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>64278</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>CHEM043385</chemdb-id> <dsstox-id>DTXSID10189315</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>UBA</stoff-ident-origin> <stoff-ident-id>SI00002286</stoff-ident-id> <susdat-id>NS00099787</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>38.77</moldb-polar-surface-area> <moldb-refractivity>113.8379</moldb-refractivity> <moldb-polarizability>44.238889469175376</moldb-polarizability> <moldb-rotatable-bond-count>12</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>8.417970119730878</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>4.86</moldb-alogps-logp> <moldb-alogps-logs>-5.59</moldb-alogps-logs> <moldb-alogps-solubility>9.95e-04 g/l</moldb-alogps-solubility> </compound>