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2413673-15-9Encorafenib-D7

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Katalog-Nr.::	DVE002138
CAS-Nr.::	2413673-15-9
Summenformel::	C22H20D7ClFN7O4S
Molare Masse::	547.05 g/mol

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Zusätzliche Informationen zu CAS 2413673-15-9

Parent drug

Encorafenib

IUPAC-Name

Methyl (S)-(1-((4-(3-(5-chloro-2-fluoro-3-(methylsulfonamido)phenyl)-1-(propan-2-yl-d7)-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate

Pharmacopeial Synonyms

N/A

Synonyme

N/A

SMILES

FC1=C(C=C(Cl)C=C1C2=NN(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C=C2C3=CC=NC(NC[C@@H](NC(OC)=O)C)=N3)NS(C)(=O)=O

InChI

InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1/i1D3,2D3,12D

Beschreibung

Encorafenib-D7 (CAS 2413673-15-9) is a deuterium-labeled isotope impurity of encorafenib commonly encountered during synthetic and stability studies. As a D7 isotopologue, this impurity exhibits altered mass spectral and chromatographic behavior requiring specific LC-MS and NMR methods for unambiguous identification and quantification. Understanding its formation pathways helps define control strategies, impurity limits and degradation mechanisms. Accurate quantitation of Encorafenib-D7 impurity is critical for method validation, batch release and regulatory filings, since isotopic variants can coelute or produce overlapping MS signals. Robust analytical protocols incorporating high resolution MS and orthogonal separation ensure reliable detection and minimize impact on drug substance quality.