Ibrutinib Impurity 3

cas: 1226872-27-0 — see every product listed under this CAS number, including other names

Ibrutinib Impurity 3 (CAS 1226872-27-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-I182029
cas1226872-27-0
sizeon request
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Structural formula: {0} (CAS {1})

1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one (CAS 1226872-27-0) is a chemical compound with the molecular formula C25H26N6O4 and a molecular weight of 474.5 g/mol. IUPAC name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one. InChIKey: NWKPMPRXJGMTKQ-UHFFFAOYSA-N.

Identity
Molecular formulaC25H26N6O4
Molecular weight474.5 g/mol
IUPAC name1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
InChIKeyNWKPMPRXJGMTKQ-UHFFFAOYSA-N
SMILESC1CC(CN(C1)C(=O)C(CO)O)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed by PubChem (NCBI)

Synonyms: Ibrutinib Impurity 3, Ibrutinib Dihydrodiol, orb2566760
Related forms of this compound
1-[(3R)-3-[4-amino-3-[4-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one C25H26N6O4
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one C25H26N6O4

Also listed as

Ibrutinib Impurity 34（PCI-45227) Hubei YoungXin CAS 1226872-27-0
BTK-IN-3 MedChemExpress CAS 1226872-27-0