<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">310942</id>
  <title nil="true"/>
  <common-name>7-chloro-5-(2-chlorophenyl)-3-(2,3-dihydroxypropoxy)-1,3-dihydro-1,4-benzodiazepin-2-one</common-name>
  <description>7-chloro-5-(2-chlorophenyl)-3-(2,3-dihydroxypropoxy)-1,3-dihydro-1,4-benzodiazepin-2-one is a compound with the chemical formula C18H16Cl2N2O4. It has an average molecular weight of 395.20 g/mol.</description>
  <cas>56057-75-1</cas>
  <pubchem-id>41699</pubchem-id>
  <chemical-formula>C18H16Cl2N2O4</chemical-formula>
  <weight>395.2</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">2026-08-29T06:41:11Z</created-at>
  <updated-at type="dateTime">2026-08-29T06:41:11Z</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>C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCC(CO)O)Cl</moldb-smiles>
  <moldb-formula>C18H16Cl2N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C18H16Cl2N2O4/c19-10-5-6-15-13(7-10)16(12-3-1-2-4-14(12)20)22-18(17(25)21-15)26-9-11(24)8-23/h1-7,11,18,23-24H,8-9H2,(H,21,25)</moldb-inchi>
  <moldb-inchikey>RUZTZHORWNXEDM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">394.0487124</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</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>CHEM306835</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>7-chloro-5-(2-chlorophenyl)-3-(2,3-dihydroxypropoxy)-1,3-dihydro-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" nil="true"/>
  <sync-id>CED0261907</sync-id>
  <structure-inchikey>RUZTZHORWNXEDM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>41000000000000000020800000200600000200000400000000000082100000000000000000000020000000008002002000000000000000000000000020000000000200000000400000000000000000000020020000000100000008000000000000000000010081000010000000100000000000000000000000020080000000100020010008000000800000200000000000000000000100000000000000000000000000000000000000080000080001000000000000000000000000000000000080000000000000000000000008000000040010000000000000000200000000000000000000000000000060000000000000000000000000420000400000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHAAAAIABBkBoAAAAAwMBBkBoAAAA
AwMBBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQYAKAAAAAME
BwAoAAAAAwMGAGAAAAADAQYAKAAAAAMECAAoAAAAAwIHAGgAAAADAgEGQCgA
AAADBAZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAAD
AwERACAAAAABCAAgAAAAAgYAYAAAAAICBgBgAAAAAwEGAGAAAAACAggAYAAA
AAEBCABgAAAAAQERACAAAAABCwABaAwBAmgMAgNoDAMEaAwEBWgMBAYgBgco
AgcIAAgJAAkKKAIJCyALDCAMDWgMDQ5oDA4PaAwPEGgMEBFoDA8SAAgTABMU
ABQVABUWABYXABUYAAMZAAUAaAwNBiARDGgMQgMAAAAGAAUEAwIBBwcGDQwL
CQgGDg8QEQwNFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:18:12Z</structure-indexed-at>
</compound>
