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Entecavir-[13C,15N,d2]

General Information
Catalog: BLP-007832
Molecular Formula: C11[13C]H13D2N4[15N]O3
Molecular Weight: 281.30
Chemical Structure
Entecavir-[13C,15N,d2]
Description Entecavir-[13C,15N,d2] is the labelled analogue of Entecavir, which is an oral antiviral drug used in the treatment of hepatitis B infection.
Synonyms Entecavir-d2,15N,13C; 2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-Purin-6-one-d2,15N,13C; Baraclude-d2,15N,13C; 2-amino-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-(methylene-d2)cyclopentyl)-1,9-dihydro-6H-purin-6-one-8-13C-7-15N
IUPAC Name 2-amino-9-[(1S,3R,4S)-2-(dideuteriomethylidene)-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-1H-purin-6-one-8-13C-7-15N
Related CAS 142217-69-4 (unlabelled)
Canonical SMILES C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N
InChI InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1/i1D2,4+1,14+1
InChI Key QDGZDCVAUDNJFG-UKZIBYOZSA-N
Solubility Slightly soluble in DMSO; Sparingly soluble in Methanol
Appearance Off-white Solid
Storage Store at -20°C

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