46781 <common-name>bisdequalinium</common-name> <description>bisdequalinium belongs to the aminoquinolines and derivatives, a subclass of quinolines and derivatives within the organic compounds. It is categorized as an organoheterocyclic compound with the formula C40H58N4. With an average molecular weight of 594.93 g/mol, bisdequalinium is a heavy molecule.</description> <cas>16776-40-2</cas> <pubchem-id>101821242</pubchem-id> <chemical-formula>C40H58N4</chemical-formula> <weight>594.9</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">2016-06-03T13:34:34Z</created-at> <updated-at type="dateTime">2026-08-22T14:04:55Z</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 nil="true"/> <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>CC1=CC2=[NH+]CCCCCCCCCC[NH+]=C3C=C(C)N(CCCCCCCCCCN1C1=CC=CC=C21)C1=CC=CC=C31</moldb-smiles> <moldb-formula>C40H58N4</moldb-formula> <moldb-inchi>InChI=1S/C40H56N4/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3/p+2</moldb-inchi> <moldb-inchikey>ZFWYZPJOMMIRAM-UHFFFAOYSA-P</moldb-inchikey> <moldb-average-mass type="decimal">594.931</moldb-average-mass> <moldb-mono-mass type="decimal">594.465050724</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>12</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>140499</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>CHEM045676</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>Arzneimittel (UBA)</stoff-ident-origin> <stoff-ident-id>SI00008722</stoff-ident-id> <susdat-id>NS00007440</susdat-id> <iupac>39,42-dimethyl-20,31-diaza-1,12-diazoniapentacyclo[30.6.2.212,19.013,18.033,38]dotetraconta-1(39),12(42),13,15,17,19(41),32(40),33,35,37-decaene</iupac> <moldb-polar-surface-area>34.42</moldb-polar-surface-area> <moldb-refractivity>216.77659999999997</moldb-refractivity> <moldb-polarizability>74.5274131322409</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>11.347949804179812</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>2.74</moldb-alogps-logp> <moldb-alogps-logs>-7.19</moldb-alogps-logs> <moldb-alogps-solubility>4.31e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Aminoquinolines and derivatives</subklass> <paper-count type="integer">10</paper-count> <sync-id>CED0035720</sync-id> <structure-inchikey>ZFWYZPJOMMIRAM-UHFFFAOYSA-P</structure-inchikey> 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