356024 <common-name>2-[bis(3-methylphenoxy)phosphorylamino]ethyl-[6-[2-[bis(3-methylphenoxy)phosphorylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium</common-name> <description>2-[bis(3-methylphenoxy)phosphorylamino]ethyl-[6-[2-[bis(3-methylphenoxy)phosphorylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium has the chemical formula C42H62N4O6P2+2. With an average molecular weight of 780.90 g/mol, 2-[bis(3-methylphenoxy)phosphorylamino]ethyl-[6-[2-[bis(3-methylphenoxy)phosphorylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>215208</pubchem-id> <chemical-formula>C42H62N4O6P2+2</chemical-formula> <weight>780.9</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">2026-09-01T01:08:18Z</created-at> <updated-at type="dateTime">2026-09-01T01:08:18Z</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>CC1=CC(=CC=C1)OP(=O)(NCC[N+](C)(C)CCCCCC[N+](C)(C)CCNP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C)OC4=CC=CC(=C4)C</moldb-smiles> <moldb-formula>C42H62N4O6P2+2</moldb-formula> <moldb-inchi>InChI=1S/C42H62N4O6P2/c1-35-17-13-21-39(31-35)49-53(47,50-40-22-14-18-36(2)32-40)43-25-29-45(5,6)27-11-9-10-12-28-46(7,8)30-26-44-54(48,51-41-23-15-19-37(3)33-41)52-42-24-16-20-38(4)34-42/h13-24,31-34H,9-12,25-30H2,1-8H3,(H,43,47)(H,44,48)/q+2</moldb-inchi> <moldb-inchikey>OPSGMDKSEOFLBI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">780.4144597</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.5</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>CHEM351917</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-[bis(3-methylphenoxy)phosphorylamino]ethyl-[6-[2-[bis(3-methylphenoxy)phosphorylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium</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 nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Quaternary ammonium salts</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0306274</sync-id> <structure-inchikey>OPSGMDKSEOFLBI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8002000000000080000000000000000000000000008000000000000000000000000400000020000200000000000000000200000000000000000200000000000000000020000000000020002800c020001000000100000000000000000000000000000000010000000000100000000040000000000000000000000004000001000140000000800000000000010080000000000000000000000000000000000000008000100200000000080000000000000000000000000000000000000000000000000000000000000000000000000002000000002000000200000000000000000100000000000040000000010000000000000000000000000000000008</structure-fingerprint> 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������(�������(������@(������@h�������@h�������@h�������@(������@h��������`�������(������@(������@h�������@h�������@h�������@(������@h��������`�������(������@(������@h�������@h�������@h�������@(������@h��������`�����������h���h���h���h���h��� ���� ��� � ������ � �� �� ����������������������������������������������� � h� !h�!"h�"#h�#$h�#%��&�&' '(h�()h�)*h�*+h�+,h�+-��.�./ /0h�01h�12h�23h�34h�35���h�$�h�,'h�4/h�B������������ !"#$��()*+,'�01234/����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:53:53Z</structure-indexed-at> </compound>