315379 <common-name>[2-hydroxy-3-[6-[2-hydroxy-3-(trimethylazaniumyl)propoxy]hexoxy]propyl]-trimethylazanium</common-name> <description>[2-hydroxy-3-[6-[2-hydroxy-3-(trimethylazaniumyl)propoxy]hexoxy]propyl]-trimethylazanium is a compound with the formula C18H42N2O4+2. It has an average molecular weight of 350.50 g/mol.</description> <cas nil="true"/> <pubchem-id>109313</pubchem-id> <chemical-formula>C18H42N2O4+2</chemical-formula> <weight>350.5</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">2026-08-29T12:46:46Z</created-at> <updated-at type="dateTime">2026-08-29T12:46:46Z</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>C[N+](C)(C)CC(COCCCCCCOCC(C[N+](C)(C)C)O)O</moldb-smiles> <moldb-formula>C18H42N2O4+2</moldb-formula> <moldb-inchi>InChI=1S/C18H42N2O4/c1-19(2,3)13-17(21)15-23-11-9-7-8-10-12-24-16-18(22)14-20(4,5)6/h17-18,21-22H,7-16H2,1-6H3/q+2</moldb-inchi> <moldb-inchikey>ONTVADZKXQPMSJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">350.3144578</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.2</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>CHEM311272</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-hydroxy-3-[6-[2-hydroxy-3-(trimethylazaniumyl)propoxy]hexoxy]propyl]-trimethylazanium</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>CED0266246</sync-id> <structure-inchikey>ONTVADZKXQPMSJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000000800000000200000000000000000000000000100000000000000000000001000000000000000000000012000000000000000000000000000000000000000000000000000008000000000000000100000000000000000000000000010000000000000002000000000000000000000000000800000000000000000040000000000000000000010000000000000000000000000040000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000010000000000000000000080000000000200</structure-fingerprint> <structure-pattern-fingerprint>500000000112020080000100010820000000000804052000003000408220004c4402005001800000000041000080000004200005008c10010000643100a04000c6110400000004000080104000620000000404004021083240000422400001000c2000020048020040000000d4b40000208080500101200411180000021000025040000804e0800808020240082c000811140812440014020000080000400080004310000010c00000000840016c25100ac00000880108001000001000400202a01000a40480000200800000000102800000000002004000090000000800020080000810000000000000000100122084001000308042800c0000010050000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������ "�������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`�������`������� ������`�������`�������`������ "�������`�������`�������`�������`�������`������������������������������� � � ������ � �����������������������������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:21:37Z</structure-indexed-at> </compound>