45633 <common-name>Androst-4-ene-3,17-dione, 9-hydroxy-</common-name> <description>Androst-4-ene-3,17-dione, 9-hydroxy- is an organic compound with the formula C19H26O3 and an average molecular weight of 302.41 g/mol. Androst-4-ene-3,17-dione, 9-hydroxy- belongs to the androstane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is further classified under the superclass of lipids and lipid-like molecules. This substance has been found in or released from drinking water and water supply sources, with oral exposure recorded as a route of contact.</description> <cas>560-62-3</cas> <pubchem-id>160526</pubchem-id> <chemical-formula>C19H26O3</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">2016-06-03T12:20:57Z</created-at> <updated-at type="dateTime">2026-03-27T01:47:23Z</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>[H][C@@]12CCC(=O)[C@@]1(C)CCC1(O)[C@@]2([H])CCC2=CC(=O)CC[C@]12C</moldb-smiles> <moldb-formula>C19H26O3</moldb-formula> <moldb-inchi>InChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h11,14-15,22H,3-10H2,1-2H3/t14-,15-,17-,18-,19?/m0/s1</moldb-inchi> <moldb-inchikey>SNMVJSSWZSJOGL-DUUFSRSUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">302.414</moldb-average-mass> <moldb-mono-mass type="decimal">302.188194697</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>141059</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>CHEM044528</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006493</stoff-ident-id> <susdat-id>NS00007719</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>54.370000000000005</moldb-polar-surface-area> <moldb-refractivity>85.05859999999997</moldb-refractivity> <moldb-polarizability>33.78622665078244</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>18.389836572623775</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>0.3815815213390661</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>2.63</moldb-alogps-logp> <moldb-alogps-logs>-3.57</moldb-alogps-logs> <moldb-alogps-solubility>8.10e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Androstane steroids</subklass> <paper-count type="integer">11</paper-count> <sync-id>CED0034484</sync-id> <structure-inchikey>SNMVJSSWZSJOGL-DUUFSRSUSA-N</structure-inchikey> 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