Ibrutinib Impurity 32

cas: 2052279-49-7 — see every product listed under this CAS number, including other names

Ibrutinib Impurity 32 (CAS 2052279-49-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULI061037
cas2052279-49-7
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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1-[(3R)-3-[7-hydroxy-4-imino-3-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one (CAS 2052279-49-7) is a chemical compound with the molecular formula C25H24N6O3 and a molecular weight of 456.5 g/mol. IUPAC name: 1-[(3R)-3-[7-hydroxy-4-imino-3-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one. InChIKey: CXADSVNGJZSUEA-GOSISDBHSA-N.

Identity
Molecular formulaC25H24N6O3
Molecular weight456.5 g/mol
IUPAC name1-[(3R)-3-[7-hydroxy-4-imino-3-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
InChIKeyCXADSVNGJZSUEA-GOSISDBHSA-N
SMILESC=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=N)N=CN3O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
1-[(3R)-3-[(1R)-4-amino-1-oxido-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O3
1-[(3R)-3-[5-hydroxy-4-imino-3-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O3
1-[(3R)-3-[(1S)-4-amino-1-oxido-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O3
1-[3-[4-amino-3-[4-(4-hydroxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O3

Also listed as

Ibrutinib Impurity 108 Chemat Brand CAS 2052279-49-7