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2416241-96-6

Name Vonoprazan Impurity U2 Fumaric acid
CAS 2416241-96-6
Molecular Formula C17H20FN3O3S
Molecular Weight 365.42
MOL File 2416241-96-6.mol
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Chemical Properties

Boiling point  571.4±60.0 °C(Predicted)
density  1.40±0.1 g/cm3(Predicted)
pka 13.03±0.40(Predicted)
InChI InChI=1S/C17H20FN3O3S/c1-19-9-12-8-16(14-4-2-3-5-15(14)18)21(11-12)25(23,24)13-6-7-17(22)20-10-13/h2-5,8,10-11,17,19-20,22H,6-7,9H2,1H3
InChIKey ZDSMONVNLPGXIQ-UHFFFAOYSA-N
SMILES C1(O)NC=C(S(N2C=C(CNC)C=C2C2=CC=CC=C2F)(=O)=O)CC1

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