350625 <common-name>11-[3-[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]propyl]-6h-benzo[c][1]benzothiepine-11-carbonitrile</common-name> <description>11-[3-[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]propyl]-6h-benzo[c][1]benzothiepine-11-carbonitrile is a compound with the formula C30H32N2OS. It has an average molecular weight of 468.70 g/mol.</description> <cas nil="true"/> <pubchem-id>3063068</pubchem-id> <chemical-formula>C30H32N2OS</chemical-formula> <weight>468.7</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">2026-08-31T15:48:29Z</created-at> <updated-at type="dateTime">2026-08-31T15:48:29Z</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=CC=CC=C1C2(CCN(CC2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N)O</moldb-smiles> <moldb-formula>C30H32N2OS</moldb-formula> <moldb-inchi>InChI=1S/C30H32N2OS/c1-23-9-2-4-11-25(23)30(33)16-19-32(20-17-30)18-8-15-29(22-31)26-12-5-3-10-24(26)21-34-28-14-7-6-13-27(28)29/h2-7,9-14,33H,8,15-21H2,1H3</moldb-inchi> <moldb-inchikey>IYXCAMJFHKALAM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">468.2235348</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM346518</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>11-[3-[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]propyl]-6h-benzo[c][1]benzothiepine-11-carbonitrile</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>CED0300930</sync-id> <structure-inchikey>IYXCAMJFHKALAM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000004004000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000008000000008010000000400003000000000000000000000000080031001000000000000100004000000020002010004000000000000008000000000004800000080000000000000422820000000010000000008000000000080000000000000000000000008810000000000008000080000a000000000000000000000000000000000000000000000000000000008002002000200000000010000000000000800000040000000010000000000000080480001000000000000</structure-fingerprint> 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