<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339260</id>
  <title nil="true"/>
  <common-name>2-[(1s,9ar)-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone</common-name>
  <description>2-[(1s,9ar)-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone is a chemical compound with the formula C24H25F3N2OS. It has an average molecular weight of 446.50 g/mol.</description>
  <cas>156213-25-1</cas>
  <pubchem-id>3074314</pubchem-id>
  <chemical-formula>C24H25F3N2OS</chemical-formula>
  <weight>446.5</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">2026-08-30T22:32:24Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:32:24Z</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>C1CCN2CCCC(C2C1)CC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F</moldb-smiles>
  <moldb-formula>C24H25F3N2OS</moldb-formula>
  <moldb-inchi>InChI=1S/C24H25F3N2OS/c25-24(26,27)17-10-11-22-20(15-17)29(19-8-1-2-9-21(19)31-22)23(30)14-16-6-5-13-28-12-4-3-7-18(16)28/h1-2,8-11,15-16,18H,3-7,12-14H2/t16-,18+/m0/s1</moldb-inchi>
  <moldb-inchikey>AFWFJJVBHZOUEX-FUHWJXTLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">446.1639691</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM335153</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>2-[(1s,9ar)-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone</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>Benzothiazines</klass>
  <subklass>Phenothiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289682</sync-id>
  <structure-inchikey>AFWFJJVBHZOUEX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000800000002000000000000000000000000000200000000000000000000000000000000000000002040000000000020004000000000000000000000000000000000040000000200020000010000000000000000080000000000000014000000000000000110020000004020100040000000000000840100800000000000000800000000000000000080000000100000000000020080000040100400004000000000000080800000040000000040000008000000000280000000000000040000000000000010000400000400000000000000200000000000000000000000002000040000000000400800000000000000002000000000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������#���€���`�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������(�������(�������(������@(������@h�������@h�������@h�������@h�������@(������� �����@(������@(������@h�������@(������@h�������@h�������� ����	� ����	� ����	� ������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:48Z</structure-indexed-at>
</compound>
