15845 <common-name>1,2,4-Benzenetricarboxylic acid, ester with 1,2-ethanediol</common-name> <description nil="true"/> <cas>71342-70-6</cas> <pubchem-id nil="true"/> <chemical-formula>C17H20Cl2N2S</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">2016-05-19T04:35:15Z</created-at> <updated-at type="dateTime">2026-04-05T17:26:24Z</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.CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2</moldb-smiles> <moldb-formula>C17H20Cl2N2S</moldb-formula> <moldb-inchi>InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H</moldb-inchi> <moldb-inchikey>FBSMERQALIEGJT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">355.325</moldb-average-mass> <moldb-mono-mass type="decimal">354.072424754</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>CHEM014740</chemdb-id> <dsstox-id>DTXSID7024827</dsstox-id> <toxcast-id>24827</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00078900</susdat-id> <iupac>[3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine hydrochloride</iupac> </compound>