312376 <common-name>6-[2-(dimethylamino)ethyl]-5,5-dioxo-6h-benzo[c][1]benzothiepin-11-one</common-name> <description>6-[2-(dimethylamino)ethyl]-5,5-dioxo-6h-benzo[c][1]benzothiepin-11-one is a chemical compound with the formula C18H19NO3S. It has an average molecular weight of 329.40 g/mol.</description> <cas nil="true"/> <pubchem-id>32091</pubchem-id> <chemical-formula>C18H19NO3S</chemical-formula> <weight>329.4</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">2026-08-29T08:46:41Z</created-at> <updated-at type="dateTime">2026-08-29T08:46:41Z</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>CN(C)CCC1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1(=O)=O</moldb-smiles> <moldb-formula>C18H19NO3S</moldb-formula> <moldb-inchi>InChI=1S/C18H19NO3S/c1-19(2)12-11-17-13-7-3-4-8-14(13)18(20)15-9-5-6-10-16(15)23(17,21)22/h3-10,17H,11-12H2,1-2H3</moldb-inchi> <moldb-inchikey>ITJHNDIJAFJVAI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">329.1085646</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM308269</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>6-[2-(dimethylamino)ethyl]-5,5-dioxo-6h-benzo[c][1]benzothiepin-11-one</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>Organoheterocyclic compounds</superklass> <klass>Benzothiepins</klass> <subklass>Dibenzothiepins</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0263315</sync-id> <structure-inchikey>ITJHNDIJAFJVAI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000800002000000000000008000000000010000000000000000000000000020000000008000900000000000000000000000040000000000000000000000000000000000000000000028000000000400000000040000000000000000000000008000000000004000000000000000000000000080000200101000000040000000c00000000000000000100000000100000000000000000000000000000000000000000000080000000000080000000000080000000000000000000000000000000000000000000000010000000000000000004200000000200000000000000000000040000000000004000009000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@(�������(�������(������@(������@h�������@h�������@h�������@h�������@(������� ������(�������(��������������������������h���h�� h� h� �h��� � (��� ��h���h���h���h���h�����������������h���h�B��������������� �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:20Z</structure-indexed-at> </compound>