Upadacitinib Impurity 6

cas: 2095311-51-4 — see every product listed under this CAS number, including other names

Upadacitinib Impurity 6 (CAS 2095311-51-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-U220006
cas2095311-51-4
sizeon request
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Structural formula: {0} (CAS {1})

Benzyl (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)pyrrolidine-1-carboxylate (CAS 2095311-51-4) is a chemical compound with the molecular formula C22H23N5O2 and a molecular weight of 389.4 g/mol. IUPAC name: benzyl (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)pyrrolidine-1-carboxylate. InChIKey: WGODLIHFGCQOPO-SJORKVTESA-N.

Identity
Molecular formulaC22H23N5O2
Molecular weight389.4 g/mol
IUPAC namebenzyl (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)pyrrolidine-1-carboxylate
InChIKeyWGODLIHFGCQOPO-SJORKVTESA-N
SMILESCC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)OCC5=CC=CC=C5

Computed by PubChem (NCBI)

Synonyms: Upadacitinib Impurity 6
Isomers (same molecular formula)
3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid C22H23N5O2

Also listed as

Upadacitinib Impurity 7 Chemat Brand CAS 2095311-51-4
(3S,4R)-Benzyl 3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate, 98% Chemat Brand CAS 2095311-51-4
(3S,4R)-Benzyl 3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate, 97%, 97% Chemat CAS 2095311-51-4