336645 <common-name>8-fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine</common-name> <description>8-fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine is a chemical compound with the formula C23H29F2N3. It has an average molecular weight of 385.50 g/mol.</description> <cas nil="true"/> <pubchem-id>53798</pubchem-id> <chemical-formula>C23H29F2N3</chemical-formula> <weight>385.5</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">2026-08-30T19:10:49Z</created-at> <updated-at type="dateTime">2026-08-30T19:10:49Z</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)CCN2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F</moldb-smiles> <moldb-formula>C23H29F2N3</moldb-formula> <moldb-inchi>InChI=1S/C23H29F2N3/c1-26-11-13-27(14-12-26)15-16-28-10-2-3-21(18-4-6-19(24)7-5-18)22-9-8-20(25)17-23(22)28/h4-9,17,21H,2-3,10-16H2,1H3</moldb-inchi> <moldb-inchikey>HDRUYYQBBNODRB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">385.2329543</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM332538</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-fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine</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>Benzazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0287104</sync-id> <structure-inchikey>HDRUYYQBBNODRB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000002080200000000000010000000000000001800000000002000000000000000000000000000000000000000000000002000000000000000000000000000080000000000000000000000200000000001000000000000000000000000000000000000000000010000000000002010000000000000000000010180100004000000040000000100000400000000000000000000008200000000100010000000400000000000008000000200000024000000000a100000000000000080000000000000000000000000000020000000000000000004200000000010010000000000000000040000000000000800000000000000000000000000000</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�B������������ �� ��������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:59Z</structure-indexed-at> </compound>