Products 2050057-56-0

CAS 2050057-56-0 appears in our catalog under these names: Upadacitinib Hemihydrate, 97%, (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, 99%. Offered by: Ambeed, Chemat. Available pack sizes: 1g, 5g, 25g, 10g.

Upadacitinib Hemihydrate, 97%
Ambeed
  • size: 1g, 5g, 25g
  • Variants: 3
from 387.06
View product
(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, 99%
Chemat
  • size: 1g, 5g, 10g, 25g
  • Variants: 4
from 280.40
View product
Structural formula: {0} (CAS {1})

Bis((3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide);hydrate (CAS 2050057-56-0) is a chemical compound with the molecular formula C34H40F6N12O3 and a molecular weight of 778.8 g/mol. IUPAC name: bis((3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide);hydrate. InChIKey: GJMQTRCDSIQEFK-SCDRJROZSA-N.

Identity
Molecular formulaC34H40F6N12O3
Molecular weight778.8 g/mol
IUPAC namebis((3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide);hydrate
InChIKeyGJMQTRCDSIQEFK-SCDRJROZSA-N
SMILESCC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F.CC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F.O

Computed by PubChem (NCBI)

Synonyms: Upadacitinib hemihydrate, RINVOQ LQ, Rinvoq, Upadacitinib hydrate (JAN), UPADACITINIB HYDRATE [JAN], upadacitinib hydrate, Rinvoq (TN), Upadacitinib (as hemihydrate), UPADACITINIB HEMIHYDRATE [WHO-DD]