1191900-51-2

Name Brexpiprazole sulfoxide impurity
CAS 1191900-51-2
Molecular Formula C25H27N3O3S
MDL Number MFCD34469890
Molecular Weight 449.57
MOL File 1191900-51-2.mol
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Chemical Properties

Boiling point  771.6±60.0 °C(Predicted)
density  1.38±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
form  Solid
pka 11.22±0.70(Predicted)
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

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