Ibrutinib Impurity 114

cas: 2554619-82-6 — see every product listed under this CAS number, including other names

Ibrutinib Impurity 114 (CAS 2554619-82-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-I182114
cas2554619-82-6
sizeon request
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purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one (CAS 2554619-82-6) is a chemical compound with the molecular formula C25H26N6O3 and a molecular weight of 458.5 g/mol. IUPAC name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one. InChIKey: CPWCTDZCUUTFJK-UHFFFAOYSA-N.

Identity
Molecular formulaC25H26N6O3
Molecular weight458.5 g/mol
IUPAC name1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one
InChIKeyCPWCTDZCUUTFJK-UHFFFAOYSA-N
SMILESC1CC(CN(C1)C(=O)CCO)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed by PubChem (NCBI)

Isomers (same molecular formula)
2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile C25H26N6O3
N-[(2R)-2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-hydroxypentyl]prop-2-enamide C25H26N6O3
2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]acetic acid C25H26N6O3
N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide C25H26N6O3

Also listed as

Ibrutinib Impurity 47 Chemat Brand CAS 2554619-82-6 (racemic)