100711 <common-name>[Benzyldimethyl[3-[3-(octadecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] chloride</common-name> <description>[Benzyldimethyl[3-[3-(octadecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] chloride belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the formula C34H59N2O2. With an average molecular weight of 563.31 g/mol, [Benzyldimethyl[3-[3-(octadecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] chloride is a heavy molecule.</description> <cas>93904-69-9</cas> <pubchem-id>44145538</pubchem-id> <chemical-formula>C34H59N2O2</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">2026-04-05T08:01:24Z</created-at> <updated-at type="dateTime">2026-04-05T08:01:24Z</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-].CCCCCCCCCCCCCCCCCCC1CC(=O)N(CCC[N+](C)(C)CC2=CC=CC=C2)C1=O</moldb-smiles> <moldb-formula>C34H59N2O2</moldb-formula> <moldb-inchi>InChI=1/C34H59N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-32-29-33(37)35(34(32)38)27-23-28-36(2,3)30-31-24-20-19-21-25-31;/h19-21,24-25,32H,4-18,22-23,26-30H2,1-3H3;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>CYMKTCNFTODMIO-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">563.31</moldb-average-mass> <moldb-mono-mass type="decimal">527.4576541</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>CHEM096604</chemdb-id> <dsstox-id>DTXSID60917221</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063821</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>Phenylmethylamines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0120265</sync-id> <structure-inchikey>CYMKTCNFTODMIO-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>4000000020000000000800000000000000000000000020000000020010000000000000002800020000200000000000004000002000000000000000000000000000000000000040000090000010008000020000000000000000000000000000000000022000000018000000000000000000040020100000000000000000000100000000040200000800000000000014000000000000100000000000000000000000000000000000000000000088000000000000008000002000000000040000000000000000000000010000000000000000000000000000000042220020000000000000000000000002040000000010010000000000000000000000000000000</structure-fingerprint> 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