327922 <common-name>8-chloro-5-[3-(dimethylamino)propyl]-4-phenyl-3,4-dihydro-2h-1-benzoxepin-5-ol</common-name> <description>8-chloro-5-[3-(dimethylamino)propyl]-4-phenyl-3,4-dihydro-2h-1-benzoxepin-5-ol is a chemical compound with the formula C21H26ClNO2. It has an average molecular weight of 359.90 g/mol.</description> <cas nil="true"/> <pubchem-id>38460</pubchem-id> <chemical-formula>C21H26ClNO2</chemical-formula> <weight>359.9</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">2026-08-30T07:26:44Z</created-at> <updated-at type="dateTime">2026-08-30T07:26:44Z</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)CCCC1(C(CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3)O</moldb-smiles> <moldb-formula>C21H26ClNO2</moldb-formula> <moldb-inchi>InChI=1S/C21H26ClNO2/c1-23(2)13-6-12-21(24)18(16-7-4-3-5-8-16)11-14-25-20-15-17(22)9-10-19(20)21/h3-5,7-10,15,18,24H,6,11-14H2,1-2H3</moldb-inchi> <moldb-inchikey>UWXGLCVZTPMATR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">359.1652068</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.1</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>CHEM323815</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>8-chloro-5-[3-(dimethylamino)propyl]-4-phenyl-3,4-dihydro-2h-1-benzoxepin-5-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>Benzoxepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0278525</sync-id> <structure-inchikey>UWXGLCVZTPMATR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000010000000000880000000000000000000400000000100080000000000000000000000400000000400000000004000000000000600000010000000000000400000000400000000000000000000008800000000400000000000000000000000010010080000000000000104000000000020000220000000000000000100000000048000000800000100000000020100000004100000000000000000001002000000004000000000000080000000000000000000000000000000000004000000000000000000000000000000001000010000000000000000200000000000000000000000000000040000000410000000003000000080000000000000000</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�B�������� ��� ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:05Z</structure-indexed-at> </compound>