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Deuruxolitinib

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Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

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Deuruxolitinib

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General Information
Catalog: BLP-013520
CAS: 1513883-39-0
Molecular Formula: C17H10D8N6
Molecular Weight: 314.41

Chemical Structure

Description	A deuterated ruxolitinib. Ruxolitinib is a janus-associated kinase inhibitor indicated to treat bone marrow cancer, specifically intermediate or high-risk myelofibrosis.
Synonyms	D8-ruxolitinib; WHO 11622; CTP 543; Ruxolitinib D8; Deuterated Ruxolitinib
IUPAC Name	(3R)-3-(2,2,3,3,4,4,5,5-octadeuteriocyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
Related CAS	941678-49-5 (unlabelled)
Isomeric SMILES	[2H]C1(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)[2H]
Canonical SMILES	C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
InChI	InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1/i1D2,2D2,3D2,4D2
InChI Key	HFNKQEVNSGCOJV-FBXGHSCESA-N
Purity	98%
Storage	Store at 2-8°C