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Includes: HPLC, MASS/LC-MS, 1H NMR, FT-IR, Potency, Structure Elucidation Report (SER), and additional analytical data depending on the product.

2050057-56-0Upadacitinib Hemihydrate Reference Standard

● Under Development

Catalogue No.:	VE0028984
CAS No.:	2050057-56-0
Mol. Formula:	C34H40F6N12O3
Mol. Weight:	778.8 g/mol

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Additional information on CAS 2050057-56-0

Parent drug

Upadacitinib/ Upadacitinib Hemihydrate

IUPAC Name

bis((3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide);hydrate

Pharmacopeial Synonyms

N/A

Synonyms

N/A

Smiles

CC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F.CC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F.O

InChI

InChI=1S/2C17H19F3N6O.H2O/c2*1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15;/h2*3-6,10-11,21H,2,7-9H2,1H3,(H,24,27);1H2/t2*10-,11+;/m11./s1

Description

Upadacitinib Hemihydrate Reference Standard, CAS 2050057-56-0, is a characterized reference material provided for analytical laboratories and research organizations. Supplied with a comprehensive certificate of analysis, it is documented for identity and quality by relevant analytical techniques such as HPLC, NMR, mass spectrometry, and FT-IR, together with other applicable quality attributes including melting point, loss on drying, specific rotation, solubility, and other physicochemical parameters where applicable. This reference standard is suitable for analytical laboratory use requiring consistent and well-documented reference material.