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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
22-Hydroxy Mifepristone (RU 42698) is an orally active hydroxylated alcoholic metabolite with antiprogestational and antiglucocorticoidal activities, which contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. The relative binding affinity of 22-Hydroxy Mifepristone to the human glucocorticoid receptor is 48%.
| Canonical Smiles | CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CCO)O)C5=CC=C(C=C5)N(C)C |
|---|---|
| IUPAC Name | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one |
| InChIKey | ULLTWLWXPJPTQG-GCNJZUOMSA-N |
| INCHI | 1S/C29H35NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,7,10-13,15-16,18H2,1-3H3/t24-,25+,26-,28-,29-/m0/s1 |
| Isomeric SMILES | C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CCO)O)C5=CC=C(C=C5)N(C)C |
| PubChem CID | 13605512 |
| Molecular Weight | 445.59 |
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