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Istradefylline-[13C,d3]

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Istradefylline-[13C,d3]

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General Information
Catalog: BLP-005820
Molecular Formula: C19[13C]H21D3N4O4
Molecular Weight: 388.44

Chemical Structure

Description	Istradefylline-[13C,d3] is the labelled analogue of Istradefylline, which is a selective A(2A) antagonist used in the treatment of Parkinson's disease.
Synonyms	(E)-8-(3,4-dimethoxystyryl)-1,3-diethyl-7-(methyl-13C-d3)-3,7-dihydro-1H-purine-2,6-dione; Istradefylline-d3,13C
IUPAC Name	8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-(trideuterio(1-13C)methyl)purine-2,6-dione
Related CAS	155270-99-8 (unlabelled)
Canonical SMILES	CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)C
InChI	InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+/i3+1D3
InChI Key	IQVRBWUUXZMOPW-YGJBQVCASA-N
Purity	98% by CP; 99% atom 13C; 98% atom D