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Thymidine-[2'-13C]

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Category Endogenous Metabolite
CAS 185553-96-2
Description As the labelled version of Thymidine, Thymidine-[2'-13C] is a constituent of deoxyribonucleic acid.
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Product Information

Synonyms 1-(2-Deoxy-β-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione-2'-13C; 1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-Pyrimidinedione-2'-13C; 2'-Deoxythymidine-2'-13C; 5-Methyl-2'-deoxyuridine-2'-13C
IUPAC Name 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(3-13C)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular Weight 243.22
Molecular Formula C9[13C]H14N2O5
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
InChIKey IQFYYKKMVGJFEH-IWTXITHASA-N
Melting Point 184-186°C
Purity 98%
Solubility Soluble in DMSO, Methanol
Appearance White Solid
Storage Store at -20°C
Complexity 381
Exact Mass 243.09362639
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
XLogP3-AA -1.2

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