IBRUTINIB 4-HYDROXY METABOLITE
On Request
Molecular Formula
C25H24N6O3
Molecular Weight
456.5000
CAS Number
1288339-18-3
PubChem CID
58223274 ↗
IUPAC Name
1-[3-[4-amino-3-[4-(4-hydroxyphenoxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one
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📝 Synonyms
4-Hydroxy Ibrutinib
1288339-18-3
Ibrutinib Impurity 166
SCHEMBL1613606
1-(3-(4-amino-3-(4-(4-hydroxyphenoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
🔬 Chemical Identifiers
C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=C(C=C5)O)N
InChI=1S/C25H24N6O3/c1-2-21(33)30-13-3-4-17(14-30)31-25-22(24(26)27-15-28-25)23(29-31)16-5-9-19(10-6-16)34-20-11-7-18(32)8-12-20/h2,5-12,15,17,32H,1,3-4,13-14H2,(H2,26,27,28)
HJAGSCLKIGHKCE-UHFFFAOYSA-N
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![1-[(3R)-3-[4-AMINO-3-( 4-PHENOXYPHENYL)-1H -PYRAZOLO[3,4 -D]PYRIMIDIN-1-YL]-1 -PIPERIDINYL]ETHANONE](/compound_images/ibrutinib-impurity-4.png)
![(R)-1-(3-(4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)PIPERIDIN-1-YL)-3-CHLOROPROPAN-1-ONE](/compound_images/r-1-3-4-amino-3-4-phenoxyphenyl-1h-pyrazolo-3-4-d-pyrimidin-1-yl-piperidin-1-yl-3-chloropropan-1-one.png)