Chemical
CAS: 2050057-56-0
(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 hemihydrate
Upadacitinib Hemihydrate
Formula: C34H40F6N12O3
Specifications
Key details (from tblproducts)
| CAS | 2050057-56-0 |
| Category | API |
| Molecular formula | C34H40F6N12O3 |
| Molecular weight | 778.77 |
| IUPAC | (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 hemihydrate |
| Smileys | CC[C@H]1[C@@H](C2=CN=C3C=NC4=C(N23)C=CN4)CN(C(NCC(F)(F)F)=O)C1.CC[C@H]5[C@@H](C6=CN=C7C=NC8=C(N67)C=CN8)CN(C(NCC(F)(F)F)=O)C5.O |
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