<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">342113</id>
  <title nil="true"/>
  <common-name>2-chloro-n-methyl-n-[2-[methyl(2-phenylethyl)amino]ethyl]phenothiazine-10-carboxamide</common-name>
  <description>2-chloro-n-methyl-n-[2-[methyl(2-phenylethyl)amino]ethyl]phenothiazine-10-carboxamide is a compound with the formula C25H26ClN3OS. It has an average molecular weight of 452.00 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>215904</pubchem-id>
  <chemical-formula>C25H26ClN3OS</chemical-formula>
  <weight>452</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">2026-08-31T02:56:51Z</created-at>
  <updated-at type="dateTime">2026-08-31T02:56:51Z</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>CN(CCC1=CC=CC=C1)CCN(C)C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl</moldb-smiles>
  <moldb-formula>C25H26ClN3OS</moldb-formula>
  <moldb-inchi>InChI=1S/C25H26ClN3OS/c1-27(15-14-19-8-4-3-5-9-19)16-17-28(2)25(30)29-21-10-6-7-11-23(21)31-24-13-12-20(26)18-22(24)29/h3-13,18H,14-17H2,1-2H3</moldb-inchi>
  <moldb-inchikey>YLVZZJCKFUJVMV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">451.1485113</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.6</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>CHEM338006</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-chloro-n-methyl-n-[2-[methyl(2-phenylethyl)amino]ethyl]phenothiazine-10-carboxamide</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>CED0292507</sync-id>
  <structure-inchikey>YLVZZJCKFUJVMV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000000800000000000000000000400000000000080000000000000001000000000000200000000000006040000000000000004000000000000000000000000400000000000000000000020000014000000000000000080000000000000010080000000000000104000200004000100040000000000000000000000040040200000800080000000000000100000000110000000081000000000000108400000000000000000080000000000000000800000000000000000000000000000000040200000000000010000000010000000000000000220000000000000000000080000000040000000000400000001000000000000000000000008</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��
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  <structure-indexed-at type="dateTime">2026-09-19T05:41:52Z</structure-indexed-at>
</compound>
