Account Tofacitinib HCl
- Catalog No. :
- ACUFVY862
- CAS No. :
- 1803005-18-6
- Molecular Formula :
- C16H21ClN6O
- Molecular Weight :
- 348.84
IUPAC Name:3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile hydrochloride
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Product Information
| Product Name | Tofacitinib HCl |
|---|---|
| IUPAC Name | 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile hydrochloride |
| Molecular Formula | C16H21ClN6O |
| Molecular Weight | 348.84 |
| SMILES | N#CCC(N1C[C@H](N(C)C2=C3C(NC=C3)=NC=N2)[C@H](C)CC1)=O.[H]Cl |
| InChI Key | GAAYSQZMMCUMRF-YLAFAASESA-N |
| Synonym | Tofacitinib HCl;1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, hydrochloride (1:1), (3R,4R)- |
| CAS No. | 1803005-18-6 |
Synthetic Route by SureRoute
2. ACUFVY862 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