20371 <common-name>Testosterone isocaproate</common-name> <description nil="true"/> <cas>15262-86-9</cas> <pubchem-id>231084</pubchem-id> <chemical-formula>C25H38O3</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">2016-05-22T05:58:05Z</created-at> <updated-at type="dateTime">2026-05-14T19:54:21Z</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>DB16002</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@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(C)C</moldb-smiles> <moldb-formula>C25H38O3</moldb-formula> <moldb-inchi>InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1</moldb-inchi> <moldb-inchikey>PPYHLSBUTAPNGT-BKWLFHPQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">386.576</moldb-average-mass> <moldb-mono-mass type="decimal">386.282095084</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.68</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>201317</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>CHEM019266</chemdb-id> <dsstox-id>DTXSID0046806</dsstox-id> <toxcast-id>46806</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015427</susdat-id> <iupac>(1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 4-methylpentanoate</iupac> <moldb-polar-surface-area>43.370000000000005</moldb-polar-surface-area> <moldb-refractivity>111.95879999999994</moldb-refractivity> <moldb-polarizability>46.69511512722173</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>19.086854770611325</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.81486352883982</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.36</moldb-alogps-logp> <moldb-alogps-logs>-5.61</moldb-alogps-logs> <moldb-alogps-solubility>9.55e-04 g/l</moldb-alogps-solubility> </compound>