3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
Tofacitinib
CAS: 477600-75-2
Molecular Formula: C16H20N6O
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile - Names and Identifiers
| Name | Tofacitinib |
| Synonyms | CP 690550 Tofacitinib 477600-75-2 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile 3-{(3S,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile |
| CAS | 477600-75-2 |
| 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-/m1/s1 |
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile - Physico-chemical Properties
| Molecular Formula | C16H20N6O |
| Density | 1.296±0.06 g/cm3(Predicted) |
| Boling Point | 585.845°C at 760 mmHg |
| Flash Point | 308.108°C |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | White powder |
| pKa | 6.04±0.60(Predicted) |
| Storage Condition | 2-8℃ |
| Refractive Index | 1.646 |
| MDL | MFCD11616529 |
![3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile](http://res.chembk.com/assets/images/structure/307468.gif)
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