Ibrutinib
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- structure.search.product.name Ibrutinib
- Product Code: TRC-I124970
- CAS Number: 936563-96-1
- Brand: TRC
Product Overview
Product Code
TRC-I124970
CAS Number
Product Format
Neat
Molecular Formula
C25 H24 N6 O2
Molecular Weight
440.50
API Family
IbrutinibDocumentation
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Product Information
Chemical Data
Analyte Name
Ibrutinib
CAS Number
936563-96-1
Molecular Formula
C25 H24 N6 O2
Molecular Weight
440.50
Accurate Mass
440.1961
SMILES
Nc1ncnc2c1c(nn2[C@@H]3CCCN(C3)C(=O)C=C)c4ccc(Oc5ccccc5)cc4
InChI
InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
IUPAC
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity; API
Product Format
Neat
API Family
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