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

Brexpiprazole sulfoxide impurity Usage And Synthesis

Uses

Brexpiprazole S-Oxide is an impurity and potential metabolite of Brexpiprazole (B677385), a drug candidate useful in treatment and prevention of mental disorders including CNS disorders.

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