N1-(2-Carboxyethyl) Ibrutinib
Product Code
TRC-C177985-25MG
Product Format
Neat
Molecular Formula
C28 H28 N6 O4
Molecular Weight
512.56
Product Categories
Product Information
Product Data
Analyte Name
N1-(2-Carboxyethyl) Ibrutinib
Molecular Formula
C28 H28 N6 O4
Molecular Weight
512.56
Accurate Mass
512.217
SMILES
OC(=O)CCN1C=Nc2c(C1=N)c(nn2[C@@H]3CCCN(C3)C(=O)C=C)c4ccc(Oc5ccccc5)cc4
InChI
InChI=1S/C28H28N6O4/c1-2-23(35)32-15-6-7-20(17-32)34-28-25(27(29)33(18-30-28)16-14-24(36)37)26(31-34)19-10-12-22(13-11-19)38-21-8-4-3-5-9-21/h2-5,8-13,18,20,29H,1,6-7,14-17H2,(H,36,37)/t20-/m1/s1
IUPAC
3-[4-imino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-5-yl]propanoic acid
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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