Baricitinib Impurity 3
[CAS# 1187595-89-6]

Identification

• Name: Baricitinib Impurity 3
• Synonyms: 1-(Ethylsulfonyl)-3-[4-[7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl]-3-azetidineacetonitrile
• Molecular Formula: C₁₇H₁₉N₇O₃S
• Molecular Weight: 401.44
• CAS Registry Number: 1187595-89-6
• SMILES: CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CN(C4=NC=N3)CO

Properties

• Density: 1.6±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.747, Calc.^*
• Boiling Point: 730.8±70.0 °C (760 mmHg), Calc.^*
• Flash Point: 395.8±35.7 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.