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Carbovir-[13C,d2]

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General Information
Catalog: BLP-010730
CAS: 1246816-59-0
Molecular Formula: C10[13C]H11D2N5O2
Molecular Weight: 250.26

Chemical Structure

Description	Carbovir-[13C,d2] is the labelled analogue of Carbovir, which is a nucleoside/nucleotide reverse transcriptase inhibitor (NRTI) that induces mitochondrial toxicity in human hepatoma carcinoma cell.
Synonyms	Carbovir-13C,d2; (+/-)-Carbovir-13C,d2; cis-Carbovir-13C,d2; NSC 614846-13C,d2; 2-amino-9-(4-(hydroxymethyl-d2)cyclopent-2-en-1-yl)-1,9-dihydro-6H-purin-6-one-8-13C
IUPAC Name	2-amino-9-[4-[dideuterio(hydroxy)methyl]cyclopent-2-en-1-yl]-1H-purin-6-one-13C
Related CAS	118353-05-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C1CC(C=C1)N2[13CH]=NC3=C2N=C(NC3=O)N)O
Canonical SMILES	C1C(C=CC1N2C=NC3=C2NC(=NC3=O)N)CO
InChI	InChI=1S/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/i4D2,5+1
InChI Key	XSSYCIGJYCVRRK-TTYOAZMQSA-N
Melting Point	>260°C (dec.)
Purity	98%; ≥98% atom 13C; ≥98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C