114664 <common-name>Dimethylbis(2-((1-oxooctadecyl)oxy)ethyl)ammonium chloride</common-name> <description>Dimethylbis(2-((1-oxooctadecyl)oxy)ethyl)ammonium chloride belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules and has the formula C42H84ClNO4. With an average molecular weight of 702.59 g/mol, Dimethylbis(2-((1-oxooctadecyl)oxy)ethyl)ammonium chloride is a heavy molecule.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C42H84ClNO4</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">2026-04-05T22:08:24Z</created-at> <updated-at type="dateTime">2026-04-05T22:08:24Z</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-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC</moldb-smiles> <moldb-formula>C42H84ClNO4</moldb-formula> <moldb-inchi>InChI=1/C42H84NO4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-40H2,1-4H3;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>NUCJYHHDSCEKQN-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">702.59</moldb-average-mass> <moldb-mono-mass type="decimal">701.6088878</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>CHEM110557</chemdb-id> <dsstox-id>DTXSID0029399</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00087963</susdat-id> <iupac>N,N-dimethyl-2-(stearoyloxy)-N-[2-(stearoyloxy)ethyl]ethanaminium chloride</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0069920</sync-id> <structure-inchikey>NUCJYHHDSCEKQN-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000010000000000000000000000000000000000002000000000000000000000000000002000800000000000000000000000000000000000000010000000008004020000004000100000000000000000000000020010000010000000000000000002040000000000000000000000000000020000040000000000000000000010000000000000000000000000000001000000000000000000000000000002001000000000008000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000002000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������0���.���€�� ����ÿ��`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`������ "�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`���������������������������� � � ������ � ����������������(��� �������������������������� ��(����� � !�!"�"#�#$�$%�%&�&'�'(�()�)*�*+�+,�,-�-.�./�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:43:48Z</structure-indexed-at> </compound>