IBRUTINIB DIHYDRODIOL R-ISOMER
On Request
Molecular Formula
C25H26N6O4
Molecular Weight
474.5000
CAS Number
1654820-87-7
PubChem CID
91971609 ↗
IUPAC Name
1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2,3-dihydroxy-1-propanone
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📝 Synonyms
IBRUTINIB M37 R-ISOMER
1654820-87-7
Ibrutinib metabolite M37
PCI-45227
JNJ-54243761
29446230GA
1-Propanone, 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-2,3-dihydroxy-
RefChem:170502
Dihydrodiol Ibrutinib
Dihydrodiol-Ibrutinib
🔬 Chemical Identifiers
C1C[C@H](CN(C1)C(=O)C(CO)O)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
InChI=1S/C25H26N6O4/c26-23-21-22(16-8-10-19(11-9-16)35-18-6-2-1-3-7-18)29-31(24(21)28-15-27-23)17-5-4-12-30(13-17)25(34)20(33)14-32/h1-3,6-11,15,17,20,32-33H,4-5,12-14H2,(H2,26,27,28)/t17-,20?/m1/s1
NWKPMPRXJGMTKQ-DIAVIDTQSA-N
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![(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)
![1,3-BIS((R)-3-(4-AMINO-3-(4-PHENOXYPHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)PIPERIDIN-1-YL)PROPAN-1-ONE](/compound_images/1-3-bis-r-3-4-amino-3-4-phenoxyphenyl-1h-pyrazolo-3-4-d-pyrimidin-1-yl-piperidin-1-yl-propan-1-one.png)
![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)
