317796 <common-name>5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine</common-name> <description>5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine is a compound with the formula C19H21N3S. It has an average molecular weight of 323.50 g/mol.</description> <cas nil="true"/> <pubchem-id>208146</pubchem-id> <chemical-formula>C19H21N3S</chemical-formula> <weight>323.5</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">2026-08-29T15:59:21Z</created-at> <updated-at type="dateTime">2026-08-29T15:59:21Z</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>CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)N</moldb-smiles> <moldb-formula>C19H21N3S</moldb-formula> <moldb-inchi>InChI=1S/C19H21N3S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11,20H2,1H3</moldb-inchi> <moldb-inchikey>OTTSHIGPMFCFEB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">323.1456189</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM313689</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>5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine</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>CED0268609</sync-id> <structure-inchikey>OTTSHIGPMFCFEB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20080000000000000080000000000000000000000000000010000000100000000000000000000000000008000000000040100000400000000000000000000000000000000020000000000000000000100000010000000000000000080000000000000000000000000000000100080000000020100040001000000000000000000000040000000800000000000204000009000000100000000080400000000000000000000000000000000080000000000000000804000008000000800000000000000000040000000100000000000000000000000000000000200008000000000000000000000000040000000000080000000000000000000000000000008</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���h�B������������������ � �� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:23:30Z</structure-indexed-at> </compound>