Products 2068022-09-1

CAS 2068022-09-1 appears in our catalog under these names: Ibrutinib Impurity 3-d5 (PCI-45227-d5) (Mixture of Diastereomers), Dihydrodiol Ibrutinib-d5, Dihydrodiol-Ibrutinib-d5. Offered by: Chemat Brand, TRC, MedChemExpress. Available pack sizes: on request, 75mg, 1 mg, 5 mg.

Ibrutinib Impurity 3-d5 (PCI-45227-d5) (Mixture of Diastereomers)
Chemat Brand
  • size: on request
  • Variants: 1
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Dihydrodiol Ibrutinib-d5
TRC
  • size: 75mg
  • Variants: 1
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Dihydrodiol-Ibrutinib-d5
MedChemExpress
  • size: 1 mg, 5 mg
  • Variants: 2
from 4629.32
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Structural formula: {0} (CAS {1})

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 (CAS 2068022-09-1) is a chemical compound with the molecular formula C25H26N6O4 and a molecular weight of 479.5 g/mol. IUPAC name: 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. InChIKey: NWKPMPRXJGMTKQ-ROSSWGEHSA-N.

Identity
Molecular formulaC25H26N6O4
Molecular weight479.5 g/mol
IUPAC name1-[(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
InChIKeyNWKPMPRXJGMTKQ-ROSSWGEHSA-N
SMILES[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=CC=C(C=C2)C3=NN(C4=NC=NC(=C34)N)[C@@H]5CCCN(C5)C(=O)C(CO)O)[2H])[2H]

Computed by PubChem (NCBI)

Synonyms: Dihydrodiol Ibrutinib-d5, Dihydrodiol-Ibrutinib-d5
Related forms of this compound
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one C25H26N6O4
1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one C25H26N6O4