43707 <common-name>2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium</common-name> <description>2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium belongs to the substituted pyrroles, a subclass of pyrroles within the organic compounds. This organoheterocyclic compound has the chemical formula C26H28N3 and an average molecular weight of 382.53 g/mol. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically as anthelmintics. The recorded exposure route for this compound is oral.</description> <cas>35648-29-4</cas> <pubchem-id>11980903</pubchem-id> <chemical-formula>C26H28N3</chemical-formula> <weight>382.5</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">2016-06-03T10:00:38Z</created-at> <updated-at type="dateTime">2026-08-22T06:26:42Z</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>DB06816</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)C1=CC2=C(C=C1)[N+](C)=C(\C=C\C1=C(C)N(C(C)=C1)C1=CC=CC=C1)C=C2</moldb-smiles> <moldb-formula>C26H28N3</moldb-formula> <moldb-inchi>InChI=1S/C26H28N3/c1-19-17-21(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/h6-18H,1-5H3/q+1</moldb-inchi> <moldb-inchikey>QMHSXPLYMTVAMK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">382.53</moldb-average-mass> <moldb-mono-mass type="decimal">382.227774334</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.41</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21125</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>CHEM042602</chemdb-id> <dsstox-id>DTXSID2043795</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>chemicalize.org</stoff-ident-origin> <stoff-ident-id>SI00000669</stoff-ident-id> <susdat-id>NS00009068</susdat-id> <iupac>2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium</iupac> <moldb-polar-surface-area>12.049999999999999</moldb-polar-surface-area> <moldb-refractivity>136.1218</moldb-refractivity> <moldb-polarizability>47.309474810423765</moldb-polarizability> <moldb-rotatable-bond-count>4</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>4</moldb-number-of-rings> <moldb-alogps-logp>2.04</moldb-alogps-logp> <moldb-alogps-logs>-6.16</moldb-alogps-logs> <moldb-alogps-solubility>2.88e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyrroles</klass> <subklass>Substituted pyrroles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0160186</sync-id> <structure-inchikey>QMHSXPLYMTVAMK-UHFFFAOYSA-N</structure-inchikey> 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��h���h���h���h���h���h���h���h���h���h���h�B������������ ����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:11:30Z</structure-indexed-at> </compound>