Telbivudine-[13C5,15N2]

Category	Orthopoxvirus
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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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