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Upadacitinib Impurity 39

Impurity

CAS Number

2050038-81-6

Molecular Formula

C32H35N5O7S

Product format

Neat

Molecular Weight

633.72

API Family

Upadacitinib

Synonyms

2050038-81-6; 1-Pyrrolidinecarboxylic acid, 3-[2-[(ethoxycarbonyl)[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2, 3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-, phenylmethyl ester, (3R, 4S)-; 1-Pyrrolidinecarboxylic acid, 3-(2-((ethoxycarbonyl)(5-((4-methylphenyl)sulfonyl)-5H-pyrrolo(2, 3-b)pyrazin-2-yl)amino)acetyl)-4-ethyl-, phenylmethyl ester, (3R, 4S)-; RefChem:235234; UPADACITINIB IMPURITY 47; benzyl (3R, 4S)-3-(N-(ethoxycarbonyl)-N-(5-tosyl-5H-pyrrolo[2, 3-b]pyrazin-2-yl)glycyl)-4-ethylpyrrolidine-1-carboxylate; SCHEMBL18767291; DTXSID101099463; G87865; (3R, 4S)-Benzyl 3-(2-((ethoxycarbonyl)(5-tosyl-5H-pyrrolo[2, 3-b]pyrazin-2-yl)amino)acetyl)-4-ethylpyrrolidine-1-carboxylate; (3R, 4S)-Benzyl3-(2-((ethoxycarbonyl)(5-tosyl-5H-pyrrolo[2 and 3-b]pyrazin-2-yl)amino)acetyl)-4-ethylpyrrolidine-1-carboxylate

Iupac Name

benzyl (3R, 4S)-3-[2-[ethoxycarbonyl-[5-(4-methylphenyl)sulfonylpyrrolo[2 and 3-b]pyrazin-2-yl]amino]acetyl]-4-ethylpyrrolidine-1-carboxylate

InChI

InChI=1S/C32H35N5O7S/c1-4-24-18-35(31(39)44-21-23-9-7-6-8-10-23)19-26(24)28(38)20-36(32(40)43-5-2)29-17-33-30-27(34-29)15-16-37(30)45(41,42)25-13-11-22(3)12-14-25/h6-17,24,26H,4-5,18-21H2,1-3H3/t24-,26+/m1/s1

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COA COO

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Synthesis

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