86990 <common-name>7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate</common-name> <description>7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. This organoheterocyclic compound has the chemical formula C18H15ClN2O3 and an average molecular weight of 342.78 g/mol.</description> <cas>18818-64-9</cas> <pubchem-id>86793</pubchem-id> <chemical-formula>C18H15ClN2O3</chemical-formula> <weight>342.8</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">2026-04-04T22:00:27Z</created-at> <updated-at type="dateTime">2026-08-19T23:10:00Z</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>DB14671</drugbank-id> <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(=NC(OC(C)=O)C1=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C18H15ClN2O3</moldb-formula> <moldb-inchi>InChI=1/C18H15ClN2O3/c1-11(22)24-17-18(23)21(2)15-9-8-13(19)10-14(15)16(20-17)12-6-4-3-5-7-12/h3-10,17H,1-2H3</moldb-inchi> <moldb-inchikey>PTWWAHZQIATUFG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">342.78</moldb-average-mass> <moldb-mono-mass type="decimal">342.07712</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.23</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>CHEM082883</chemdb-id> <dsstox-id>DTXSID00940311</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00047460</susdat-id> <iupac>7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate</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>CED0168907</sync-id> <structure-inchikey>PTWWAHZQIATUFG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000000000200000000000000500000000000080000000000000000000000020020000008000002004000000000000000000000000000000004000000000400000000000000000000020000000000100000008008000000000000000010080000010000000100000000000000100000000000010000000500010000040000000820000000200004000800000000100000000000000000000000100000000000000000000090000000000000000000001000000000000000000000000100000808000000008000000000010000000000000000200000000000000000000000000000040000000001400000000000000000000400000000000</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">2026-09-19T04:31:12Z</structure-indexed-at> </compound>