Account (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)
- Catalog No. :
- ACBGZR940
- CAS No. :
- 2050057-56-0
- Molecular Formula :
- C34H40F6N12O3
- Molecular Weight :
- 778.76
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 hemihydrate
![(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) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product 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 hydrate(2:1) |
|---|---|
| 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 hemihydrate |
| Molecular Formula | C34H40F6N12O3 |
| Molecular Weight | 778.76 |
| SMILES | O=C(N1C[C@@H](CC)[C@@H](C2=CN=C3C=NC(NC=C4)=C4N32)C1)NCC(F)(F)F.[H]O[H].O=C(N5C[C@@H](CC)[C@@H](C6=CN=C7C=NC(NC=C8)=C8N76)C5)NCC(F)(F)F |
| InChI Key | GJMQTRCDSIQEFK-SCDRJROZSA-N |
| Synonym | 1-Pyrrolidinecarboxamide, 3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-, hydrate (2:1), (3S,4R)-;Upadacitinib hemihydrate;Upadacitinib Hydrate;Cinchonanium, 1-[13,5-bis(trifluoromethyllphenyllmethyl]-9-hydroxy-1'- [[3-(trifluoromethyl)phenyllmethyl},bromide(1:2), (8a,9R)-";ABT 494 hemihydrate;ABT494 hemihydrate;ABT-494 hemihydrate;(3S,4R)-3-ethyl-4-(3H-imidazolo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide hydrate |
| CAS No. | 2050057-56-0 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACBGZR940 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
Upadacitinib tartrate tetrahydrate