Products 1708997-42-5

CAS 1708997-42-5 appears in our catalog under these names: Upadacitinib Impurity 5, Upadacitinib Impurity 6. Offered by: Chemat Brand, Hubei YoungXin. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

Upadacitinib Impurity 5
Chemat Brand
  • size: on request
  • Variants: 1
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Upadacitinib Impurity 6
Chemat Brand, Hubei YoungXin
  • size: on request, 10mg, 25mg, 50mg
  • Variants: 6
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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