<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">125227</id>
  <title nil="true"/>
  <common-name>3-Hydroxy-2-oxoquazepam</common-name>
  <description>3-Hydroxy-2-oxoquazepam is an organic compound with the chemical formula C17H11ClF4N2O2 and an average molecular weight of 386.70 g/mol. 3-Hydroxy-2-oxoquazepam belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. Within the broader chemical hierarchy, it is classified as an organoheterocyclic compound.

The substance is found in or released from 13 recorded sources spanning multiple sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, and wires and cables, among one other source. Within the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is identified in lubricants used in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, as well as one other sector. Recorded exposure routes for 3-Hydroxy-2-oxoquazepam include inhalation, oral, and touch.</description>
  <cas>87075-15-8</cas>
  <pubchem-id>135860</pubchem-id>
  <chemical-formula>C17H11ClF4N2O2</chemical-formula>
  <weight>386.7</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">2026-04-06T09:06:07Z</created-at>
  <updated-at type="dateTime">2026-08-28T22:19:07Z</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)N(C3=C2C=C(C=C3)Cl)CC(F)(F)F)O)F</moldb-smiles>
  <moldb-formula>C17H11ClF4N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H11ClF4N2O2/c18-9-5-6-13-11(7-9)14(10-3-1-2-4-12(10)19)23-15(25)16(26)24(13)8-17(20,21)22/h1-7,15,25H,8H2</moldb-inchi>
  <moldb-inchikey>UUODKRKSEPDUBO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">386.0445179</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</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>CHEM121120</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00116056</susdat-id>
  <iupac>7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)-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>CED0091962</sync-id>
  <structure-inchikey>UUODKRKSEPDUBO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>5000000000000000000800000202000000000000400000000000480000000000000000200000020020000008000002000000000000000001000000000000000000000000000400000080000000000000020000000000010000008000000000000000000010080000010000000100000000000000104000000000080000000100080000000000000800000000000400000000000000100000100000000400000002100000000000000000000080001000000000000040000000000000000000000000000000000000000000000000000000010000000000000000600000000000000100000008000000040000000001000800000000000002100000000000000</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">2026-09-19T04:47:27Z</structure-indexed-at>
</compound>
