46879 <common-name>Deacetyl Ketoconazole</common-name> <description>Deacetyl Ketoconazole belongs to the piperazines, a subclass of diazinanes within the organic compounds. This organoheterocyclic compound has the formula C24H26Cl2N4O3 and an average molecular weight of 489.40 g/mol.</description> <cas>67914-61-8</cas> <pubchem-id>10480684</pubchem-id> <chemical-formula>C24H26Cl2N4O3</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">2016-06-03T13:40:36Z</created-at> <updated-at type="dateTime">2026-03-27T00:04:07Z</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>ClC1=CC(Cl)=C(C=C1)C1(CN2C=CN=C2)OCC(COC2=CC=C(C=C2)N2CCNCC2)O1</moldb-smiles> <moldb-formula>C24H26Cl2N4O3</moldb-formula> <moldb-inchi>InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2</moldb-inchi> <moldb-inchikey>LOUXSEJZCPKWAX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">489.4</moldb-average-mass> <moldb-mono-mass type="decimal">488.1381961</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8656091</chemspider-id> <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>CHEM045774</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>BfG,Schüsener 2015</stoff-ident-origin> <stoff-ident-id>SI00008963</stoff-ident-id> <susdat-id>NS00005785</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>60.780000000000015</moldb-polar-surface-area> <moldb-refractivity>128.50129999999996</moldb-refractivity> <moldb-polarizability>50.50441803823024</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>8.90414319651484</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>3.94</moldb-alogps-logp> <moldb-alogps-logs>-4.77</moldb-alogps-logs> <moldb-alogps-solubility>8.26e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer">508</paper-count> <sync-id>CED0011025</sync-id> <structure-inchikey>LOUXSEJZCPKWAX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000080880002000000000001000400000000000080004000000000000000004000200000000002002000000100000000000008000000020000000000000000400000000000000000000000800000010100200200000004000000000000080080000010000000100000000000020900000000000000000000500000000008020000000c00200000800000000000000000400000000000000000000000080000000000000004080100040001000000080100008000000008000000000000000000001000000000000200000010000000000000000200000000020000000040000000002240000000000010008100000000080000000008040000</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������������������ ��h���h���h���h���h��� ���������������� ���h� ��� h���h����B������������� � ���� ��������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:13:49Z</structure-indexed-at> </compound>