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| Chemical manufacturer since 2018 | ||||
| Name | Upadacitinib Impurity 1 |
|---|---|
| Synonyms | (3R,4S)-benzyl 3-(2-(tert-butoxycarbonyl(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)amino)acetyl)-4-ethylpyrrolidine-1-carboxylate |
| Molecular Structure |  |
| Molecular Formula | C34H39N5O7S |
| Molecular Weight | 661.77 |
| CAS Registry Number | 1428243-27-9 |
| SMILES | CC[C@@H]1CN(C[C@@H]1C(=O)CN(C2=CN=C3C(=N2)C=CN3S(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC(C)(C)C)C(=O)OCC5=CC=CC=C5 |
| Density | 1.3±0.1 g/cm3, Calc.* |
|---|---|
| Index of Refraction | 1.629, Calc.* |
| Boiling Point | 791.9±70.0 °C (760 mmHg), Calc.* |
| Flash Point | 432.7±35.7 °C, Calc.* |
| * | Calculated using Advanced Chemistry Development (ACD/Labs) Software. |
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