ChemicalBook--->CAS DataBase List--->1917333-91-5

1917333-91-5

1917333-91-5 Structure

1917333-91-5 Structure
IdentificationBack Directory
[Name]

Ibrutinib Impurity 6
[CAS]

1917333-91-5
[Synonyms]

Ibrutinib Impurity 6
Ibrutinib iMpurity MDGH
(R)-8-(1-acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one
Pyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one, 3,4-dihydro-8-[(3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl]-10-(4-phenoxyphenyl)-
(R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity)
(R)-8-(1-acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimQ: What is (R)-8-(1-acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrim Q: What is the CAS Number of (R)-8-(1-acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrim
[Molecular Formula]

C28H26N6O3
[MOL File]

1917333-91-5.mol
[Molecular Weight]

494.54
Chemical PropertiesBack Directory
[Boiling point ]

752.1±70.0 °C(Predicted)
[density ]

1.38±0.1 g/cm3(Predicted)
[pka]

0.28±0.20(Predicted)
[InChIKey]

FSCNEJORXHNHBP-HXUWFJFHSA-N
[SMILES]

C1=NC2N([C@@H]3CCCN(C(=O)C=C)C3)N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C=2C2=NC(=O)CCN12
Spectrum DetailBack Directory
[Spectrum Detail]

Ibrutinib Impurity 6(1917333-91-5)1HNMR
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