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Brexpiprazole sulfoxide impurity Structure

Brexpiprazole sulfoxide impurity

Chemical Properties

Boiling point 771.6±60.0 °C(Predicted)
Density  1.38±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
pka 11.22±0.70(Predicted)
form  Solid
color  Off-white to light yellow
InChI InChI=1S/C25H27N3O3S/c29-25-9-7-19-6-8-20(18-22(19)26-25)31-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-32(24)30/h3-10,17-18H,1-2,11-16H2,(H,26,29)
InChIKey VJYXYAVCCLPIPM-UHFFFAOYSA-N
SMILES N1C2=C(C=CC(OCCCCN3CCN(C4=C5C=CS(=O)C5=CC=C4)CC3)=C2)C=CC1=O

Usage And Synthesis

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