312051 <common-name>1-[5-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-n,n-dimethylmethanamine</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3068670</pubchem-id> <chemical-formula>C18H19ClN2O</chemical-formula> <weight>314.8</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">2026-08-29T08:22:12Z</created-at> <updated-at type="dateTime">2026-08-29T08:22:12Z</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)CC1COC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)Cl</moldb-smiles> <moldb-formula>C18H19ClN2O</moldb-formula> <moldb-inchi>InChI=1S/C18H19ClN2O/c1-21(2)11-15-12-22-17-9-4-3-8-16(17)18(20-15)13-6-5-7-14(19)10-13/h3-10,15H,11-12H2,1-2H3</moldb-inchi> <moldb-inchikey>FACOYPAOKYWASH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">314.1185909</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM307944</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>1-[5-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-n,n-dimethylmethanamine</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>Benzoxazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0262992</sync-id> <structure-inchikey>FACOYPAOKYWASH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000800000200000000000000400000000000080000000000000000000010000000000008000002000000008000000400000000000100000000000000000400000008000000020000008800000000000000008008000000000000000000000002000000000104000000000020000000000000080000000100001000040000000800000000000000000900000000100000000000000000000000000000000000000100000080000000000020010000000004000000000000000000000000000008800000000000000000010000001000000000200000000001000000000000000000040000000400010000000000000000000000000000000</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">2026-09-19T05:19:04Z</structure-indexed-at> </compound>