312506 <common-name>2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-n,n-dimethylethanamine</common-name> <description>2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-n,n-dimethylethanamine is a chemical compound with the formula C18H20ClNOS. It has an average molecular weight of 333.90 g/mol.</description> <cas nil="true"/> <pubchem-id>199713</pubchem-id> <chemical-formula>C18H20ClNOS</chemical-formula> <weight>333.9</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">2026-08-29T09:00:04Z</created-at> <updated-at type="dateTime">2026-08-29T09:00:04Z</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)CCOC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13</moldb-smiles> <moldb-formula>C18H20ClNOS</moldb-formula> <moldb-inchi>InChI=1S/C18H20ClNOS/c1-20(2)9-10-21-16-12-13-11-14(19)7-8-17(13)22-18-6-4-3-5-15(16)18/h3-8,11,16H,9-10,12H2,1-2H3</moldb-inchi> <moldb-inchikey>VQXBMCYNKQVQKI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">333.0954131</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</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>CHEM308399</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>2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-n,n-dimethylethanamine</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>CED0263436</sync-id> <structure-inchikey>VQXBMCYNKQVQKI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000000000400001000000080010000008000000000000000000000000000100000040000000000000000000000000000000000000000400800000000000000000008000010000500000000000080000000000000000081000000000000104000000000021000040000000800000000101000000060000000800000000000000040100000008100000000080000000000000020000000000000000000080000000000000000000002000000000000000000000000000040000000000000000000000010000000004000000200000000000000000000000000000040000000000000000001000000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAQMGAGAAAAACAgYAYAAAAAICCAAgAAAAAgYAYAAAAAMBBgBgAAAA AgIGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQG QGgAAAADAwERACAAAAABEAAgAAAAAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQLAAEAAQIAAQMAAwQABAUA BQYABgcABwgACAloDAkKaAwKC2gMCwxoDAwNaAwMDgAJDwAPEAAQEWgMERJo DBITaAwTFGgMFBVoDBUGAA0IaAwVEGgMQgMAAAAHBgcICQ8QFQYKCwwNCAkG ERITFBUQFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:27Z</structure-indexed-at> </compound>