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Ibrutinib Impurity 14

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Ibrutinib Impurity 14 Basic information

Product Name:
Ibrutinib Impurity 14
Synonyms:
  • Ibrutinib Impurity 14
  • 2-Propen-1-one, 1-[(3R)-3-[5-[3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-3-oxopropyl]-4,5-dihydro-4-imino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-
  • Ibrutinib Impurity 12Q: What is Ibrutinib Impurity 12 Q: What is the CAS Number of Ibrutinib Impurity 12
  • Irotinib impurity D
  • 1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3, 4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4- phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-
  • 1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (Ibrutinib Impurity)
  • isopropyl 4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxylate
CAS:
2417548-76-4
MF:
C50H48N12O4
MW:
880.99
Mol File:
2417548-76-4.mol
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Ibrutinib Impurity 14 Chemical Properties

Density 
1.40±0.1 g/cm3(Predicted)
pka
4.92±0.20(Predicted)
InChIKey
BDBRPLQKDJWEDP-LQFQNGICSA-N
SMILES
C(N1CCC[C@@H](N2C3=C(C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)C(=N)N(CCC(N2CCC[C@@H](N4C5C(C(C6=CC=C(OC7=CC=CC=C7)C=C6)=N4)=C(N)N=CN=5)C2)=O)C=N3)C1)(=O)C=C

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