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<compound>
  <id type="integer">125287</id>
  <title nil="true"/>
  <common-name>Alpha-Hydroxy-BRT</common-name>
  <description>Alpha-Hydroxy-BRT is an organic compound with the chemical formula $\text{C}_{15}\text{H}_{10}\text{BrClN}_4\text{OS}$ and an average molecular weight of 409.70 g/mol. Alpha-Hydroxy-BRT belongs to the thienodiazepines, a class of organoheterocyclic compounds within the organic compounds.

This substance is identified in or released from 13 recorded sources across several diverse sectors. Within the healthcare, pharmaceuticals, and veterinary products sector, it is associated with medical devices. In the energy, oil, and gas sector as well as the industrial manufacturing and chemical processing sector, it is found in lubricants. It is also present in food packaging within the food, food processing, and cookware sector. Additionally, the compound is linked to textiles, leather, and furnishings, specifically in synthetic textiles and carpets and rugs. It is further recorded in electrical and electronic equipment, including cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Beyond these specific categories, it is found in one additional sector. Recorded exposure routes for Alpha-Hydroxy-BRT include inhalation, oral exposure, and touch.</description>
  <cas>62551-41-1</cas>
  <pubchem-id>173861</pubchem-id>
  <chemical-formula>C15H10BrClN4OS</chemical-formula>
  <weight>409.7</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">2026-04-06T09:08:11Z</created-at>
  <updated-at type="dateTime">2026-08-28T10:36:37Z</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>C1C2=NN=C(N2C3=C(C=C(S3)Br)C(=N1)C4=CC=CC=C4Cl)CO</moldb-smiles>
  <moldb-formula>C15H10BrClN4OS</moldb-formula>
  <moldb-inchi>InChI=1S/C15H10BrClN4OS/c16-11-5-9-14(8-3-1-2-4-10(8)17)18-6-12-19-20-13(7-22)21(12)15(9)23-11/h1-5,22H,6-7H2</moldb-inchi>
  <moldb-inchikey>SCENUYIFDLIXIB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">407.94472</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM121180</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00116122</susdat-id>
  <iupac>[4-bromo-7-(2-chlorophenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-13-yl]methanol</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>Thienodiazepines</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0120402</sync-id>
  <structure-inchikey>SCENUYIFDLIXIB-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:47:27Z</structure-indexed-at>
</compound>
