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COA COO

Upadacitinib Impurity 6

Impurity

CAS Number

1708997-42-5

Molecular Formula

C29H29N5O4S

Product format

Neat

Molecular Weight

543.64

API Family

Upadacitinib

Synonyms

benzyl (3S, 4R)-3-ethyl-4-(3-tosyl-3H-imidazo[1, 2-a]pyrrolo[2 and 3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate

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 and 11-pentaen-12-yl]pyrrolidine-1-carboxylate

InChI

InChI=1S/C29H29N5O4S/c1-3-22-17-32(29(35)38-19-21-7-5-4-6-8-21)18-24(22)26-15-30-27-16-31-28-25(34(26)27)13-14-33(28)39(36,37)23-11-9-20(2)10-12-23/h4-16,22,24H,3,17-19H2,1-2H3/t22-,24+/m1/s1

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COA COO

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Synthesis

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