336631 <common-name>3-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]piperazin-1-yl]propan-1-ol</common-name> <description>3-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]piperazin-1-yl]propan-1-ol is a chemical compound with the formula C23H29ClN2O2S. It has an average molecular weight of 433.00 g/mol.</description> <cas nil="true"/> <pubchem-id>13295991</pubchem-id> <chemical-formula>C23H29ClN2O2S</chemical-formula> <weight>433</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">2026-08-30T19:09:52Z</created-at> <updated-at type="dateTime">2026-08-30T19:09:52Z</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>C1CN(CCN1CCCO)CCOC2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl</moldb-smiles> <moldb-formula>C23H29ClN2O2S</moldb-formula> <moldb-inchi>InChI=1S/C23H29ClN2O2S/c24-19-6-7-23-20(17-19)21(16-18-4-1-2-5-22(18)29-23)28-15-13-26-11-9-25(10-12-26)8-3-14-27/h1-2,4-7,17,21,27H,3,8-16H2</moldb-inchi> <moldb-inchikey>CNKRZACTXYRCTF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">432.163827</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</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>CHEM332524</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>3-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]piperazin-1-yl]propan-1-ol</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>CED0287091</sync-id> <structure-inchikey>CNKRZACTXYRCTF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000080000002080000000000000000000040000000000008201000000800000000000000000000000000000000004000000000000000000400000000000000400000040080000000000000000000400001000010000000000008000000000000001008100000000000010000000000002010004000000080000000010100000000008000080000000002000404000000000010000080008000000800000000000000800000000000008000000000000000000000200a000000000000000000000000040000000000000000000000010000008004000000200000000010000000000000000000040000000010000000000000000000000000000000008</structure-fingerprint> 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