336926 <common-name>2-[4-[2-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethyl]piperazin-1-yl]ethanol</common-name> <description>2-[4-[2-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethyl]piperazin-1-yl]ethanol is a compound with the chemical formula C23H30N2O2S. It has an average molecular weight of 398.60 g/mol.</description> <cas nil="true"/> <pubchem-id>13353973</pubchem-id> <chemical-formula>C23H30N2O2S</chemical-formula> <weight>398.6</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">2026-08-30T19:34:19Z</created-at> <updated-at type="dateTime">2026-08-30T19:34:19Z</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=CC2=C(C=C1)SCC3=CC=CC=C3C2OCCN4CCN(CC4)CCO</moldb-smiles> <moldb-formula>C23H30N2O2S</moldb-formula> <moldb-inchi>InChI=1S/C23H30N2O2S/c1-18-6-7-22-21(16-18)23(20-5-3-2-4-19(20)17-28-22)27-15-13-25-10-8-24(9-11-25)12-14-26/h2-7,16,23,26H,8-15,17H2,1H3</moldb-inchi> <moldb-inchikey>NYZCWGYUSYENKK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">398.2027994</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM332819</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-[4-[2-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethyl]piperazin-1-yl]ethanol</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>CED0287380</sync-id> <structure-inchikey>NYZCWGYUSYENKK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>804000000000000002080000000100000000004000000000004000200100800000000000000000000100000000010000000000000000000000000400000000000000400000000000000000000000000000000001000010000000000008000000000010001000100000000100010040000000002010004000000000000000410100000004000000080000000000000400000000000010000400008000000800000000000000000001000000008000000000000000000000000a000000000000000000000080000000000000000000000000000000008002002000200000000010000000100000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAHwAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEQ ACAAAAACBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQZAaAAAAAMDAQZAKAAAAAMEBgBgAAAAAwEIACAAAAACBgBgAAAAAgIG AGAAAAACAgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBwAgAAAAAwYAYAAAAAIC BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICCABgAAAAAQELAAEAAQJoDAIDaAwD BGgMBAVoDAUGaAwEBwAHCAAICQAJCmgMCgtoDAsMaAwMDWgMDQ5oDA4PAA8Q ABARABESABITABMUABQVABUWABYXABcYABYZABkaABobAAYBaAwPAwAOCWgM GBMAQgQAAAAGAQYFBAMCBwcEAw8OCQgGCgsMDQ4JBhQVFhcYExcEAAAAAAAA ABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:10Z</structure-indexed-at> </compound>