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2088650-53-5Abemaciclib-D8

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Katalog-Nr.::	DVE002129
CAS-Nr.::	2088650-53-5
Summenformel::	C27H24D8F2N8
Molare Masse::	514.65 g/mol

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Zusätzliche Informationen zu CAS 2088650-53-5

Parent drug

Abemaciclib

IUPAC-Name

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2,2,3,3,5,5,6,6-octadeuterio-4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]pyrimidin-2-amine

Pharmacopeial Synonyms

N/A

Synonyme

N/A

SMILES

CC1=NC2=C(F)C=C(C3=NC(NC4=NC=C(CN5C([2H])([2H])C([2H])([2H])N(CC)C([2H])([2H])C5([2H])[2H])C=C4)=NC=C3F)C=C2N1C(C)C

InChI

InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)/i8D2,9D2,10D2,11D2

Beschreibung

Abemaciclib-D8 (CAS 2088650-53-5) is an isotopically labeled impurity that requires targeted analytical control due to its deuterium incorporation and potential effect on chromatographic behavior and mass spectral response. Characterization typically employs high resolution MS to confirm mass shift, 1H and 2H NMR for labeling pattern verification, and LC with UV and MS detection to determine retention time and purity. Stability studies assess hydrogen-deuterium exchange under acidic or protic conditions. Manufacturing control strategies focus on limiting formation via optimized deuteration conditions, establishing qualification thresholds, and implementing routine batch-level assays. Defined acceptance criteria and traceability documentation ensure consistent impurity management.