19465 <common-name>Prednicarbate</common-name> <description nil="true"/> <cas>73771-04-7</cas> <pubchem-id>52421</pubchem-id> <chemical-formula>C27H36O8</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">2016-05-22T05:11:07Z</created-at> <updated-at type="dateTime">2026-05-14T16:58:05Z</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>DB01130</drugbank-id> <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>[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C</moldb-smiles> <moldb-formula>C27H36O8</moldb-formula> <moldb-inchi>InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1</moldb-inchi> <moldb-inchikey>FNPXMHRZILFCKX-KAJVQRHHSA-N</moldb-inchikey> <moldb-average-mass type="decimal">488.577</moldb-average-mass> <moldb-mono-mass type="decimal">488.241018119</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.83</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>47402</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>CHEM018360</chemdb-id> <dsstox-id>DTXSID9045502</dsstox-id> <toxcast-id>45502</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00003795</susdat-id> <iupac>2-[(1S,2R,10S,11S,14R,15S,17S)-14-[(ethoxycarbonyl)oxy]-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl propanoate</iupac> <moldb-polar-surface-area>116.20000000000002</moldb-polar-surface-area> <moldb-refractivity>127.79539999999994</moldb-refractivity> <moldb-polarizability>52.4316245824717</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>14.829222173305045</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.8513633014644526</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>3.08</moldb-alogps-logp> <moldb-alogps-logs>-4.94</moldb-alogps-logs> <moldb-alogps-solubility>5.62e-03 g/l</moldb-alogps-solubility> </compound>