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Telbivudine-[13C5,15N2]

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Category Endogenous Metabolite
CAS 478511-40-9
Description Telbivudine-[13C5,15N2] is a labelled compound of Telbivudine. Telbivudine is an antiviral drug used in the treatment of hepatitis B infection. It is marketed by Swiss pharmaceutical company Novartis under the trade names Sebivo (Europe) and Tyzeka (United States). Clinical trials have shown it to be significantly more effective than lamivudine or adefovir, and less likely to cause resistance.
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Product Information

Synonyms [1',2',3',4',5'-13C5,1,3-15N2]thymidine; thymidine-1',2',3',4',5'-13C5,1,3-15N2; 2'-deoxy-(1',2',3',4',5'-13C5,N1,N3-15N2)-thymidine
IUPAC Name 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(1-13C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
Molecular Weight 249.19
Molecular Formula C5[13C]5H14[15N]2O5
Canonical SMILES CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
InChI InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i2+1,4+1,6+1,7+1,8+1,11+1,12+1
InChIKey IQFYYKKMVGJFEH-JGDHDXEJSA-N
Purity 95%
Density 1.5±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
PSA 104.55000
Target DNA/RNA Synthesis; Endogenous Metabolite; Orthopoxvirus

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