17962 <common-name>Pyrvinium pamoate</common-name> <description nil="true"/> <cas>3546-41-6</cas> <pubchem-id nil="true"/> <chemical-formula>C75H70N6O6</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">2016-05-22T03:45:42Z</created-at> <updated-at type="dateTime">2026-04-05T19:43:44Z</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>CN(C)C1=CC=C2C(C=CC(C=CC3=C(C)N(C(C)=C3)C3=CC=CC=C3)=[N+]2C)=C1.CN(C)C1=CC=C2C(C=CC(C=CC3=C(C)N(C(C)=C3)C3=CC=CC=C3)=[N+]2C)=C1.OC(=O)C1=CC2=CC=CC=C2C(CC2=C([O-])C(=CC3=CC=CC=C23)C(O)=O)=C1[O-]</moldb-smiles> <moldb-formula>C75H70N6O6</moldb-formula> <moldb-inchi>InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2</moldb-inchi> <moldb-inchikey>OOPDAHSJBRZRPH-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">1151.421</moldb-average-mass> <moldb-mono-mass type="decimal">1150.535683998</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM016857</chemdb-id> <dsstox-id>DTXSID4023545</dsstox-id> <toxcast-id>23545</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00083433</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>12.05</moldb-polar-surface-area> <moldb-refractivity>136.1218</moldb-refractivity> <moldb-polarizability>47.288776678766254</moldb-polarizability> <moldb-rotatable-bond-count>12</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>1.4831972911350026</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>12</moldb-number-of-rings> <moldb-alogps-logp>6.96</moldb-alogps-logp> <moldb-alogps-logs>-7.64</moldb-alogps-logs> <moldb-alogps-solubility>2.61e-05 g/l</moldb-alogps-solubility> </compound>