(3S,4S)-Tofacitinib
- Product Name(3S,4S)-Tofacitinib
- CAS1092578-47-6
- CBNumberCB3970902
- MFC16H20N6O
- MW312.37
- MDL NumberMFCD11035920
- MOL FileMol file
Chemical Properties
| Density | 1.296 |
| storage temp. | Store at -20°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 6.04±0.60(Predicted) |
| form | Powder |
| color | Off-white to pink |
| InChI | InChI=1/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/s3 |
| InChIKey | UJLAWZDWDVHWOW-BCFRMRSDNA-N |
| SMILES | C(#N)CC(N1CC[C@H](C)[C@H](N(C)C2=NC=NC3NC=CC=32)C1)=O |&1:7,9,r| |