152542-03-5

Name Paliperidone Impurity 4
CAS 152542-03-5
Molecular Formula C23H28FN3O4
Molecular Weight 429.48
MOL File 152542-03-5.mol
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Chemical Properties

Boiling point  610.0±65.0 °C(Predicted)
density  1.40±0.1 g/cm3(Predicted)
pka 6.77±0.35(Predicted)
InChI InChI=1S/C23H28FN3O4/c1-14-17(23(31)27-9-2-3-19(28)22(27)25-14)8-12-26-10-6-15(7-11-26)21(30)18-5-4-16(24)13-20(18)29/h4-5,13,15,19,28-29H,2-3,6-12H2,1H3
InChIKey HHJQSCQRKCIFRU-UHFFFAOYSA-N
SMILES C12C(O)CCCN1C(=O)C(CCN1CCC(C(=O)C3=CC=C(F)C=C3O)CC1)=C(C)N=2

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