2964606-42-4

Name Baricitinib Impurity 34
CAS 2964606-42-4
Molecular Formula C15H17N7O4S
Molecular Weight 391.41
MOL File 2964606-42-4.mol
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Chemical Properties

Boiling point  724.5±70.0 °C(predicted)
density  1.65±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
pka 1.80±0.36(predicted)
InChI InChI=1S/C15H17N7O4S/c1-2-27(25,26)21-7-15(8-21,3-4-16)22-6-10(5-20-22)12-11(14(23)24)13(17)19-9-18-12/h5-6,9H,2-3,7-8H2,1H3,(H,23,24)(H2,17,18,19)
InChIKey KBSUJVBJYAITIL-UHFFFAOYSA-N
SMILES C(C1(N2N=CC(C3=NC=NC(=C3C(=O)O)N)=C2)CN(C1)S(=O)(=O)CC)C#N

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