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Dihydrodiol Ibrutinib-[d5]

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General Information
Catalog: BLP-005151
Molecular Formula: C25H21D5N6O4
Molecular Weight: 479.54

Chemical Structure

Description	Dihydrodiol Ibrutinib-[d5] is a deuterium labelled form of Dihydrodiol Ibrutinib, which is a metabolite of Ibrutinib. Ibrutinib is a small molecule drug.
Synonyms	Dihydrodiol Ibrutinib D5; [2H5]-Ibrutinib metabolite
IUPAC Name	1-[(3R)-3-[4-amino-3-[4-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
Related CAS	1654820-87-7 (unlabelled)
Canonical SMILES	C1CC(CN(C1)C(=O)C(CO)O)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
InChI	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,
InChI Key	NWKPMPRXJGMTKQ-ROSSWGEHSA-N
Purity	>98%
Storage	Store at -20°C