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| Chemical manufacturer since 2018 | ||||
| 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 Structure | ![CAS # 1187595-89-6, Baricitinib Impurity 3, 1-(Ethylsulfonyl)-3-[4-[7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl]-3-azetidineacetonitrile](/structures/1187595-89-6.gif) |
| 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 |
| Density | 1.6±0.1 g/cm3, Calc.* |
|---|---|
| Index of Refraction | 1.747, Calc.* |
| Boiling Point | 730.8±70.0 ºC (760 mmHg), Calc.* |
| Flash Point | 395.8±35.7 ºC, Calc.* |
| * | Calculated using Advanced Chemistry Development (ACD/Labs) Software. |
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