Account Upadacitinib tartrate tetrahydrate
- Catalog No. :
- ACDWTB781
- CAS No. :
- 1607431-21-9
- Molecular Formula :
- C21H33F3N6O11
- Molecular Weight :
- 602.52
IUPAC Name:(3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (2R,3R)-2,3-dihydroxysuccinate tetrahydrate
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Product Information
| Product Name | Upadacitinib tartrate tetrahydrate |
|---|---|
| IUPAC Name | (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (2R,3R)-2,3-dihydroxysuccinate tetrahydrate |
| Molecular Formula | C21H33F3N6O11 |
| Molecular Weight | 602.52 |
| SMILES | O=C(N1C[C@@H](CC)[C@@H](C2=CN=C3C=NC(NC=C4)=C4N32)C1)NCC(F)(F)F.O=C(O)[C@H](O)[C@@H](O)C(O)=O.[H]O[H].[H]O[H].[H]O[H].[H]O[H] |
| InChI Key | LATZVDXOTDYECD-ARKNDKGZSA-N |
| Synonym | Upadacitinib tartrate;Upadacitinib tartrate tetrahydrate;1-Pyrrolidinecarboxamide, 3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(,2,2-trifluoroethyl)-,(3S,4R)-,(2R,3R)-2,3-dihydroxybutanedioate, hydrate (1:1:4);Upadacitinib L-Tartrate |
| CAS No. | 1607431-21-9 |
Synthetic Route by SureRoute
2. ACDWTB781 Molecular Building Block Synthetic Route
(3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
(3R,4S)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
(3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide hydrate(2:1)