122897 <common-name>(αR,7α)-3-Hydroxy-α-((perfluorobutyl)propyl)-17-oxo-estra-1,3,5(10)-triene-7-decanoic acid</common-name> <description nil="true"/> <cas>615563-01-4</cas> <pubchem-id>53326324</pubchem-id> <chemical-formula>C35H45F9O4</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">2026-04-06T06:15:45Z</created-at> <updated-at type="dateTime">2026-05-21T05:46:56Z</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(CCCCCCCC[C@]1([H])CC2=CC(O)=CC=C2[C@@]2([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]12[H])(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O</moldb-smiles> <moldb-formula>C35H45F9O4</moldb-formula> <moldb-inchi>InChI=1S/C35H45F9O4/c1-31-18-16-26-25-13-12-24(45)20-23(25)19-22(29(26)27(31)14-15-28(31)46)10-7-5-3-2-4-6-9-21(30(47)48)11-8-17-32(36,37)33(38,39)34(40,41)35(42,43)44/h12-13,20-22,26-27,29,45H,2-11,14-19H2,1H3,(H,47,48)/t21-,22-,26-,27+,29-,31+/m1/s1</moldb-inchi> <moldb-inchikey>SXPDQFMOOOYJJG-IMTRHWJASA-N</moldb-inchikey> <moldb-average-mass type="decimal">700.727</moldb-average-mass> <moldb-mono-mass type="decimal">700.3174139</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>26380265</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>CHEM118790</chemdb-id> <dsstox-id>DTXSID40897476</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00110496</susdat-id> <iupac>(2R)-10-[(7alpha,8xi)-3-Hydroxy-17-oxoestra-1(10),2,4-trien-7-yl]-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)decanoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> </compound>