IUPAC Name: | (2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide |
Description: | (2S)-3-Bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide is a reactant used in the preparation of hydroxy(phenylthio)propionanilides as affinity ligands for the androstane receptor. |
Molecular Weight: | 351.12 |
Molecular Formula: | C12H10BrF3N2O2 |
Canonical SMILES: | CC(CBr)(C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F)O |
InChI: | InChI=1S/C12H10BrF3N2O2/c1-11(20,6-13)10(19)18-8-3-2-7(5-17)9(4-8)12(14,15)16/h2-4,20H,6H2,1H3,(H,18,19)/t11-/m1/s1 |
InChI Key: | JSZFXNCCDXABCT-LLVKDONJSA-N |
Melting Point: | >130°C (dec.) |
Solubility: | Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Tan to Dark Orange Solid |
Storage: | 4°C |
References: | Tucker, H. et al. J. Med. Chem., 31, 885 (1988). |
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