<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">21009</id>
  <title nil="true"/>
  <common-name>Dapiprazole hydrochloride</common-name>
  <description>Dapiprazole hydrochloride belongs to the piperazines, a subclass of diazinanes within the organic compounds. This organoheterocyclic compound has the chemical formula C19H28ClN5 and an average molecular weight of 361.92 g/mol.</description>
  <cas>72822-13-0</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C19H28ClN5</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-22T06:37:02Z</created-at>
  <updated-at type="dateTime">2026-04-06T10:55:26Z</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>Cl.CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1</moldb-smiles>
  <moldb-formula>C19H28ClN5</moldb-formula>
  <moldb-inchi>InChI=1S/C19H27N5.ClH/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19;/h2-3,6-7H,4-5,8-15H2,1H3;1H</moldb-inchi>
  <moldb-inchikey>ZIODNPFQZIHCOE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">361.92</moldb-average-mass>
  <moldb-mono-mass type="decimal">361.2033236</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM019904</chemdb-id>
  <dsstox-id>DTXSID7048669</dsstox-id>
  <toxcast-id>48669</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00120951</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>37.190000000000005</moldb-polar-surface-area>
  <moldb-refractivity>100.22159999999998</moldb-refractivity>
  <moldb-polarizability>37.59570858851275</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>7.667908152684471</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>2.78</moldb-alogps-logp>
  <moldb-alogps-logs>-2.64</moldb-alogps-logs>
  <moldb-alogps-solubility>7.51e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer">92</paper-count>
  <sync-id>CED0019442</sync-id>
  <structure-inchikey>ZIODNPFQZIHCOE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2080000000000000000000000000000000002001000000000000002000020200000000000000200000010004000000004000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000002010000000000001000000000080000004000000080000000400000400008000000010000000000100000000000010000000000000000000008010000000000000000000000a000800800000020000000000800000000000000010800000000000000202000200200000000010000000000000000080040000000000000000000000000000003000000000010</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���@������`������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������`������� ������`�������`������@(������@(������@(������@(�������`�������`�������`�������`������@(�������`�������`�����������h���h���h���h���h��� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:08:21Z</structure-indexed-at>
</compound>
