114478 <common-name>1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, ethyl sulfate</common-name> <description nil="true"/> <cas>67846-16-6</cas> <pubchem-id>105793</pubchem-id> <chemical-formula>C27H58N2O5S</chemical-formula> <weight>522.8</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">2026-04-05T22:01:36Z</created-at> <updated-at type="dateTime">2026-04-17T18:23:54Z</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>CCOS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC</moldb-smiles> <moldb-formula>C27H58N2O5S</moldb-formula> <moldb-inchi>InChI=1/C25H52N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27(3,4)6-2;1-2-6-7(3,4)5/h5-24H2,1-4H3;2H2,1H3,(H,3,4,5)</moldb-inchi> <moldb-inchikey>WBJQGBBEPJLNKP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">522.83</moldb-average-mass> <moldb-mono-mass type="decimal">522.406644</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>CHEM110371</chemdb-id> <dsstox-id>DTXSID3070701</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00087714</susdat-id> <iupac>N-ethyl-N,N-dimethyl-3-(stearoylamino)propan-1-aminium ethyl sulfate</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"/> </compound>