Upadacitinib Impurity 5

cas: 1708997-42-5 — see every product listed under this CAS number, including other names

Upadacitinib Impurity 5 (CAS 1708997-42-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-U220005
cas1708997-42-5
sizeon request
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Structural formula: {0} (CAS {1})

Benzyl (3S,4R)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxylate (CAS 1708997-42-5) is a chemical compound with the molecular formula C29H29N5O4S and a molecular weight of 543.6 g/mol. IUPAC name: benzyl (3S,4R)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxylate. InChIKey: MCBXXQJEBJJFFW-VWNXMTODSA-N.

Identity
Molecular formulaC29H29N5O4S
Molecular weight543.6 g/mol
IUPAC namebenzyl (3S,4R)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxylate
InChIKeyMCBXXQJEBJJFFW-VWNXMTODSA-N
SMILESCC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(N=C3)N(C=C4)S(=O)(=O)C5=CC=C(C=C5)C)C(=O)OCC6=CC=CC=C6

Computed by PubChem (NCBI)

Synonyms: Upadacitinib Impurity 5, Upatinib impurity 5, starbld0005607, Upadacitinib Impurity 03, MCBXXQJEBJJFFW-VWNXMTODSA-N

Also listed as

Upadacitinib Impurity 6 Chemat Brand CAS 1708997-42-5