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Apalutamide Structure

Apalutamide

Chemical Properties

Density  1.59±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  ≥23.85 mg/mL in DMSO; insoluble in H2O; ≥7.33 mg/mL in EtOH
form  solid
pka 13.83±0.46(Predicted)
color  White to off-white
InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
InChIKey HJBWBFZLDZWPHF-UHFFFAOYSA-N
SMILES C(NC)(=O)C1=CC=C(N2C(=S)N(C3=CC(C(F)(F)F)=C(C#N)N=C3)C(=O)C32CCC3)C=C1F

Usage And Synthesis

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