44309 <common-name>17-Acetoxy-6-chloro-1 alpha-chloromethyl-4,6-pregnadiene-3,20-dione</common-name> <description nil="true"/> <cas>17183-98-1</cas> <pubchem-id>17861823</pubchem-id> <chemical-formula>C24H30Cl2O4</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">2016-06-03T10:41:52Z</created-at> <updated-at type="dateTime">2026-03-27T01:16:41Z</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>CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)CC(CCl)C4(C)C3CCC12C)C(C)=O</moldb-smiles> <moldb-formula>C24H30Cl2O4</moldb-formula> <moldb-inchi>InChI=1S/C24H30Cl2O4/c1-13(27)24(30-14(2)28)8-6-18-17-11-21(26)20-10-16(29)9-15(12-25)23(20,4)19(17)5-7-22(18,24)3/h10-11,15,17-19H,5-9,12H2,1-4H3</moldb-inchi> <moldb-inchikey>MFEGXCLQSLHLPH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">453.4</moldb-average-mass> <moldb-mono-mass type="decimal">452.1521148</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16026266</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>CHEM043204</chemdb-id> <dsstox-id>DTXSID40723761</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00002058</stoff-ident-id> <susdat-id>NS00007107</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>60.44</moldb-polar-surface-area> <moldb-refractivity>118.54089999999995</moldb-refractivity> <moldb-polarizability>47.83323159477553</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>17.80534446514968</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-5.532094095577486</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.25</moldb-alogps-logp> <moldb-alogps-logs>-5.99</moldb-alogps-logs> <moldb-alogps-solubility>4.67e-04 g/l</moldb-alogps-solubility> </compound>