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| Chemical distributor since 2013 | ||||
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| Name | (3S,4S)-Tofacitinib |
|---|---|
| Synonyms | 3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile |
| Molecular Structure |  |
| Molecular Formula | C16H20N6O |
| Molecular Weight | 312.37 |
| CAS Registry Number | 1092578-47-6 |
| SMILES | C[C@H]1CCN(C[C@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N |
| Solubility | 155.1 mg/L (25 °C water) |
|---|---|
| Density | 1.3±0.1 g/mL, Calc.* |
| Index of Refraction | 1.646, Calc.* |
| Melting point | 217.50 °C |
| * | Calculated using Advanced Chemistry Development (ACD/Labs) Software. |
| Hazard Symbols |  GHS07 Warning Details |
|---|---|
| Risk Statements | H315-H319-H335 Details |
| Safety Statements | P261-P305+P351+P338-P302+P352 Details |
| SDS | Available |
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| List of Reports Available for (3S,4S)-Tofacitinib |