Ibrutinib Impurity 37

cas: 2031255-25-9 — see every product listed under this CAS number, including other names

Ibrutinib Impurity 37 (CAS 2031255-25-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberAO-I0039.42
cas2031255-25-9
sizeon request
availability In stock
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Structural formula: {0} (CAS {1})

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 (CAS 2031255-25-9) is a chemical compound with the molecular formula C25H24N6O3 and a molecular weight of 456.5 g/mol. IUPAC name: 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. InChIKey: WHNVUBNAXFVNTG-WTPASJBYSA-N.

Identity
Molecular formulaC25H24N6O3
Molecular weight456.5 g/mol
IUPAC name1-[(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
InChIKeyWHNVUBNAXFVNTG-WTPASJBYSA-N
SMILESC=CC(=O)N1CCC[C@H](C1)[N@+]2(C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)[O-]

Computed by PubChem (NCBI)

Synonyms: Ibrutinib Impurity 111, Ibrutinib Impurity BZDYH
Related forms of this compound
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
Isomers (same molecular formula)
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 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-[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

(S)-1-((R)-1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine 1-oxide (Ibrutinib Impurity), 98%, 98% Chemat CAS 2031255-25-9
(S)-1-((R)-1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine 1-oxide (Ibrutinib Impurity), 98% Fluorochem CAS 2031255-25-9