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Regadenoson-[d3]

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General Information
Catalog: BLP-005981
Molecular Formula: C15H15D3N8O5
Molecular Weight: 393.37

Chemical Structure

Description	Labelled Regadenoson. Regadenoson, as a coronary vasodilator, is a selective A2A adenosine receptor agonist in myocardial imaging.
Synonyms	2-[4-[(Methylamino)carbonyl]-1H-pyrazol-1-yl]adenosine-d3; 1-{6-amino-9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}-N-(D3)methyl-1H-pyrazole-4-carboxamide; 2-[4-[(Methylamino)carbonyl]-1H-pyrazol-1-yl]adenosine D3
IUPAC Name	1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-(trideuteriomethyl)pyrazole-4-carboxamide
Related CAS	313348-27-5 (unlabelled)
Canonical SMILES	CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N
InChI	InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1/i1D3
InChI Key	LZPZPHGJDAGEJZ-WFVVRPHKSA-N
Boiling Point	158-160°C
Melting Point	200-205°C
Purity	98%; 99% atom D
Density	2.0±0.1 g/cm3
Solubility	Soluble in DMSO (Slightly); Methanol (Slightly, Heated)
Appearance	Pale Beige Solid
Storage	Store at-20°C Freezer, Under Inert Atmosphere