2094559-58-5

Name Brexpiprazole Impurity 2
CAS 2094559-58-5
Molecular Formula C38H40N4O4S
MDL Number MFCD30721924
Molecular Weight 648.81
MOL File 2094559-58-5.mol
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Chemical Properties

Boiling point  866.8±65.0 °C(Predicted)
density  1.260±0.06 g/cm3(Predicted)
pka 11.22±0.70(Predicted)
InChIKey ASMZGKYPXIZKIZ-UHFFFAOYSA-N
SMILES N1(CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C2=C(C=CC(OCCCCN3CCN(C4=C5C=CSC5=CC=C4)CC3)=C2)C=CC1=O

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