95845 <common-name>(-)-[3-Cyano-3-(3,4-dimethoxyphenyl)hex-6-yl][2-(3,4-dimethoxyphenyl)ethyl]methylammonium chloride</common-name> <description>(-)-[3-Cyano-3-(3,4-dimethoxyphenyl)hex-6-yl][2-(3,4-dimethoxyphenyl)ethyl]methylammonium chloride belongs to the phenylbutylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C26H36N2O4 and an average molecular weight of 477.04 g/mol.</description> <cas>67018-83-1</cas> <pubchem-id>57358013</pubchem-id> <chemical-formula>C26H36N2O4</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">2026-04-05T03:44:52Z</created-at> <updated-at type="dateTime">2026-04-05T03:44:52Z</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>Cl.CCC(CCCC(N)CCC1=CC(OC)=C(OC)C=C1)(C#N)C1=CC(OC)=C(OC)C=C1</moldb-smiles> <moldb-formula>C26H36N2O4</moldb-formula> <moldb-inchi>InChI=1/C26H36N2O4.ClH/c1-7-26(19-27,21-10-12-23(30-4)25(18-21)32-6)14-8-15-28(2)16-13-20-9-11-22(29-3)24(17-20)31-5;/h9-12,17-18H,7-8,13-16H2,1-6H3;1H</moldb-inchi> <moldb-inchikey>GXSNJQVFIBEXRJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">477.04</moldb-average-mass> <moldb-mono-mass type="decimal">440.2675076</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>CHEM091738</chemdb-id> <dsstox-id>DTXSID20957885</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057866</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenylbutylamines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0119263</sync-id> <structure-inchikey>SQJOLUMEGUQOBU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000008002008021000008000000000000000000000000004000000000030002000000000000000000000000000000000000008008000000000000000000000000000000000040000000000000200001000000000210000000000022000100000000400000001000000000000000000000000000000000000010000000400100000000000000000000000010000000000000000014000000000000000800000000000002000880000000400000000000000000000000000000a0000000000000040008200000000000400000000000000000000220000000404000000000000000000040000000010000800000000020000000000000000000</structure-fingerprint> 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