350953 <common-name>(2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethylazaniumyl]propylamino]-2-oxoacetyl]amino]propyl]-diethylazanium</common-name> <description>(2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethylazaniumyl]propylamino]-2-oxoacetyl]amino]propyl]-diethylazanium has the chemical formula C30H46Cl2N4O2+2. With an average molecular weight of 565.60 g/mol, (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethylazaniumyl]propylamino]-2-oxoacetyl]amino]propyl]-diethylazanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>9043</pubchem-id> <chemical-formula>C30H46Cl2N4O2+2</chemical-formula> <weight>565.6</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">2026-08-31T16:21:00Z</created-at> <updated-at type="dateTime">2026-08-31T16:21:00Z</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>CC[N+](CC)(CCCNC(=O)C(=O)NCCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl</moldb-smiles> <moldb-formula>C30H46Cl2N4O2+2</moldb-formula> <moldb-inchi>InChI=1S/C30H44Cl2N4O2/c1-5-35(6-2,23-25-15-9-11-17-27(25)31)21-13-19-33-29(37)30(38)34-20-14-22-36(7-3,8-4)24-26-16-10-12-18-28(26)32/h9-12,15-18H,5-8,13-14,19-24H2,1-4H3/p+2</moldb-inchi> <moldb-inchikey>PILWTEPAUNDRNJ-UHFFFAOYSA-P</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">564.2997821</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.8</logp> <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>CHEM346846</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethylazaniumyl]propylamino]-2-oxoacetyl]amino]propyl]-diethylazanium</iupac> <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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0301257</sync-id> <structure-inchikey>PILWTEPAUNDRNJ-UHFFFAOYSA-P</structure-inchikey> <structure-fingerprint>800000000c0000000000000000000400000000000000000000000300040000000000000200000000000a100000000000000000000000000000000000440000000000000000080020001000000000000000000000000000000000010000000000000000000000000040000000000000020000000000000000000040000000800000000000000080000000000100200000000000000000000000000000000004000000080000000000010000000000000000004000040000000000000000040000000000000000000010000000000000000200000000000000000000000000000048000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAJwAAAIABBgBgAAAAAQMGAGAAAAAC AgcgIgAAAAEEBgBgAAAAAgIGAGAAAAABAwYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIGACgAAAADBAgAKAAAAAMC BwBoAAAAAwIBBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICByAiAAAAAQQGAGAA AAACAgYAYAAAAAEDBgBgAAAAAgIGAGAAAAABAwYAYAAAAAICBkAoAAAAAwQG QGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBBEA IAAAAAEGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQRACAAAAABCwABAAECAAIDAAMEAAIFAAUG AAYHAAcIAAgJIAkKKAIJCyALDCgCCw0gDQ4ADg8ADxAAEBEAERIAEhMAERQA FBUAERYAFhcAFxhoDBgZaAwZGmgMGhtoDBscaAwcHQACHgAeHwAfIGgMICFo DCEiaAwiI2gMIyRoDCQlABwXaAwkH2gMQgIAAAAGGBkaGxwXBiAhIiMkHxcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:48:55Z</structure-indexed-at> </compound>