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Acalabrutinib Impurity 18

Impurity

CAS Number

2412166-56-2

Molecular Formula

C30H25N7O3

Product format

Neat

Molecular Weight

531.58

API Family

Acalabrutinib

Synonyms

2412166-56-2; Acalabrutinib Impurity 21; J4DG4XXS6C; Benzamide, 4-[2-methyl-4-oxo-9-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]-4H-imidazo[5', 1':3, 4]pyrazino[1, 2-a]pyrimidin-11-yl]-N-2-pyridinyl-; 4-[2-Methyl-4-oxo-9-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]-4H-imidazo[5', 1':3, 4]pyrazino[1, 2-a]pyrimidin-11-yl]-N-2-pyridinylbenzamide; 4-[2-Methyl-4-oxo-9-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]-4H-imidazo[5?, 1?:3, 4]pyrazino[1, 2-a]pyrimidin-11-yl]-N-2-pyridinylbenzamide; 4-[5-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-12-methyl-10-oxo-4, 6, 9, 13-tetrazatricyclo[7.4.0.02, 6]trideca-1(13), 2, 4, 7 and 11-pentaen-3-yl]-N-pyridin-2-ylbenzamide

Iupac Name

4-[5-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-12-methyl-10-oxo-4, 6, 9, 13-tetrazatricyclo[7.4.0.02, 6]trideca-1(13), 2, 4, 7 and 11-pentaen-3-yl]-N-pyridin-2-ylbenzamide

InChI

InChI=1S/C30H25N7O3/c1-3-7-24(38)35-15-6-8-22(35)28-34-26(27-29-32-19(2)18-25(39)36(29)16-17-37(27)28)20-10-12-21(13-11-20)30(40)33-23-9-4-5-14-31-23/h4-5,9-14,16-18,22H,6,8,15H2,1-2H3,(H,31,33,40)/t22-/m0/s1

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Synthesis

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