96212 <common-name>Dimethyl(octadecyl)[3-(stearoylamino)propyl]ammonium toluene-p-sulphonate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>22757067</pubchem-id> <chemical-formula>C41H85N2O</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">2026-04-05T04:02:55Z</created-at> <updated-at type="dateTime">2026-04-05T04:02:55Z</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=C(C=C1)S(O)(=O)=O.CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCN=C([O-])CCCCCCCCCCCCCCCCC</moldb-smiles> <moldb-formula>C41H85N2O</moldb-formula> <moldb-inchi>InChI=1/C41H84N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43(3,4)40-36-38-42-41(44)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-40H2,1-4H3;2-5H,1H3,(H,8,9,10)</moldb-inchi> <moldb-inchikey>SHZVCMDZRTWPGH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">793.33</moldb-average-mass> <moldb-mono-mass type="decimal">621.6661903</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>CHEM092105</chemdb-id> <dsstox-id>DTXSID801003562</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00058287</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"/> </compound>