345342 <common-name>8-chloro-4,5-bis[3-(dimethylamino)propyl]-4-phenyl-2,3-dihydro-1-benzoxepin-5-ol</common-name> <description>8-chloro-4,5-bis[3-(dimethylamino)propyl]-4-phenyl-2,3-dihydro-1-benzoxepin-5-ol is a chemical compound with the formula C26H37ClN2O2. It has an average molecular weight of 445.00 g/mol.</description> <cas nil="true"/> <pubchem-id>38462</pubchem-id> <chemical-formula>C26H37ClN2O2</chemical-formula> <weight>445</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">2026-08-31T08:01:31Z</created-at> <updated-at type="dateTime">2026-08-31T08:01:31Z</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(CCOC2=C(C1(CCCN(C)C)O)C=CC(=C2)Cl)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C26H37ClN2O2</moldb-formula> <moldb-inchi>InChI=1S/C26H37ClN2O2/c1-28(2)17-8-14-25(21-10-6-5-7-11-21)16-19-31-24-20-22(27)12-13-23(24)26(25,30)15-9-18-29(3)4/h5-7,10-13,20,30H,8-9,14-19H2,1-4H3</moldb-inchi> <moldb-inchikey>DGCXKLSGBSAJRE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">444.2543561</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM341235</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-4,5-bis[3-(dimethylamino)propyl]-4-phenyl-2,3-dihydro-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>CED0295702</sync-id> <structure-inchikey>DGCXKLSGBSAJRE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4008000010000000000880000000000000000000400000000000080008000000000000000000000000000400000000004000000000000400000000000100000000000000008400000000000000000000008800000040400000000000000008008000010010080000000000000104000000000020000260000000000000000000000000048000000800000000000000020300080000100000000000000000000000000000000000000000000088000000000000000000000000000000000004000000008000000000000000000000000000010000800000000000200000000000000000000000000000040000000410000000001000000080000000000000000</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">2026-09-19T05:44:25Z</structure-indexed-at> </compound>