72061 <common-name>7-Chloro-5-(1-chlorocyclohexyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one</common-name> <description>7-Chloro-5-(1-chlorocyclohexyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. It is an organoheterocyclic compound with the formula C16H18Cl2N2O1 and an average molecular weight of 325.23 g/mol.</description> <cas>28781-62-6</cas> <pubchem-id>119841</pubchem-id> <chemical-formula>C16H18Cl2N2O1</chemical-formula> <weight nil="true"/> <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">2026-04-03T20:47:44Z</created-at> <updated-at type="dateTime">2026-04-03T20:47:44Z</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>CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1(Cl)CCCCC1</moldb-smiles> <moldb-formula>C16H18Cl2N2O1</moldb-formula> <moldb-inchi>InChI=1S/C16H18Cl2N2O/c1-20-13-6-5-11(17)9-12(13)15(19-10-14(20)21)16(18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3</moldb-inchi> <moldb-inchikey>VCBSSHVDTFGHBF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">325.23</moldb-average-mass> <moldb-mono-mass type="decimal">324.079619</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>106921</chemspider-id> <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>CHEM067954</chemdb-id> <dsstox-id>DTXSID00182956</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00028542</susdat-id> <iupac>7-chloro-5-(1-chlorocyclohexyl)-1-methyl-3H-1,4-benzodiazepin-2-one</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>Benzodiazepines</klass> <subklass>1,4-benzodiazepines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0130340</sync-id> <structure-inchikey>VCBSSHVDTFGHBF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000004000010000000400000000000080000000000000000000000020000000008000002000000000000000000000000000000000000000000000400000000000000000000020000000000000000000280000000400000012000080001010000000104000000000020100000000000010000000008800000048002000080000000000004000200000000000080000000000000000000100000000000000000000080000000000000000000001000000000000000000000000000000000000000002000000000010000000000000000200000000000000000000000000000040000000001000000000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@h�������@(������� �����@h�������@h��������(�������(�������`�������(�������(������� ������ ������`�������`�������`�������`�������`����������� ��h���h���h������h���h�� (� ������ (� ���������������������� �����h�B�������� ��������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:07Z</structure-indexed-at> </compound>