Account rac-Tofacitinib
- Catalog No. :
- ACEIRG915
- CAS No. :
- 344418-92-4
- Molecular Formula :
- C16H20N6O
- Molecular Weight :
- 312.38
IUPAC Name:rac-Tofacitinib
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Product Information
| Product Name | rac-Tofacitinib |
|---|---|
| IUPAC Name | rac-Tofacitinib |
| Molecular Formula | C16H20N6O |
| Molecular Weight | 312.38 |
| SMILES | CN(C1CN(CCC1C)C(CC#N)=O)C2=C3C(NC=C3)=NC=N2 |
| InChI Key | UJLAWZDWDVHWOW-UHFFFAOYSA-N |
| Synonym | 1-Piperidinepropanenitrile, 4-Methyl-3-(Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMino)-β-oxo-;Tofacitinib Impurity 28;rac-Tofacitinib;3-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;rac-Tofacitinib (Mixture of Diastereomers);4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile;Rac-Tofacitinib Citrate (Mixture Of Diastereomers);Tofacitinib Impurity 34 (Mixture of Diastereomers) |
| CAS No. | 344418-92-4 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H301-H331-H351-H360
- Precautionary Statement(s)
- P201-P202-P261-P264-P270-P271-P304+P340-P308+P313-P310-P330-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACEIRG915 Molecular Building Block Synthetic Route
3-((3S,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-((3R,4S)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile