| Identification | Back Directory | [Name]
Baricitinib Impurity 34 | [CAS]
2964606-42-4 | [Synonyms]
Baritinib impurity 6
5-Pyrimidinecarboxylic acid, 4-amino-6-[1-[3-(cyanomethyl)-1-(ethylsulfonyl)-3-azetidinyl]-1H-pyrazol-4-yl]- | [Molecular Formula]
C15H17N7O4S | [MOL File]
2964606-42-4.mol | [Molecular Weight]
391.41 |
| Chemical Properties | Back Directory | [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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