Brexpiprazole sulfoxide impurity , 90%+ , 1191900-51-2

CAS NO.：1191900-51-2

Empirical Formula: C25H27N3O3S

Molecular Weight: 449.57

MDL number: MFCD34469890

PRODUCT 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

Description and 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.