Upadacitinib Impurity 4

cas: 1428243-27-9 — see every product listed under this CAS number, including other names

Upadacitinib Impurity 4 (CAS 1428243-27-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-U220004
cas1428243-27-9
sizeon request
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Structural formula: {0} (CAS {1})

Benzyl (3S,4R)-3-ethyl-4-[2-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]pyrrolidine-1-carboxylate (CAS 1428243-27-9) is a chemical compound with the molecular formula C34H39N5O7S and a molecular weight of 661.8 g/mol. IUPAC name: benzyl (3S,4R)-3-ethyl-4-[2-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]pyrrolidine-1-carboxylate. InChIKey: BFRDSFZFZQJXHN-VPUSJEBWSA-N.

Identity
Molecular formulaC34H39N5O7S
Molecular weight661.8 g/mol
IUPAC namebenzyl (3S,4R)-3-ethyl-4-[2-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]pyrrolidine-1-carboxylate
InChIKeyBFRDSFZFZQJXHN-VPUSJEBWSA-N
SMILESCC[C@@H]1CN(C[C@@H]1C(=O)CN(C2=CN=C3C(=N2)C=CN3S(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC(C)(C)C)C(=O)OCC5=CC=CC=C5

Computed by PubChem (NCBI)

Synonyms: Upadacitinib Impurity 4, Upadacitinib Impurity 35, Upadacitinib Impurity 01, Upatinib Impurity 4, BFRDSFZFZQJXHN-VPUSJEBWSA-N

Also listed as

Upadacitinib Impurity 5 Chemat Brand CAS 1428243-27-9
Benzyl (3R,4S)-3-(N-(tert-butoxycarbonyl)-N-(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)glycyl)-4-ethylpyrrolidine-1-carboxylate 98% Ambeed CAS 1428243-27-9
1-Pyrrolidinecarboxylic acid, 3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-, phenylmethyl ester, (3R,4S)-, 98%, 98% Chemat CAS 1428243-27-9