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rac-Tenofovir-[d6]

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Category Hepatitis B Virus (HBV)
CAS 1020719-94-1
Description One isotopotic labelled form of Tenofovir, which is an analogue of acyclic phosphonate nucleotide and could be used in antiviral treatment as an everse transcriptase inhibitor.
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Product Information

Synonyms 2(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]-d6-phosphonic Acid;9-(2-Phosphonomethoxypropyl)adenine-d6; PMPA-d6; rac-GS-1278-d6; rac-Tenefovir-d6
IUPAC Name [1-(6-aminopurin-9-yl)-1,1,2,3,3,3-hexadeuteriopropan-2-yl]oxymethylphosphonic acid
Molecular Weight 293.25
Molecular Formula C9H8D6N5O4P
Canonical SMILES CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
InChI InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/i1D3,2D2,6D
InChIKey SGOIRFVFHAKUTI-CUYPRXAISA-N
Melting Point >250 °C (dec.)
Purity 96.5% HPLC; 99% atom D
Solubility In vitro:
10 mM in DMSO
Appearance White to Off-White Solid
Storage Store at -20°C
Complexity 354
Exact Mass 293.11600142
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 146.19000
Target Reverse Transcriptase; HIV; HBV
XLogP3-AA -1.6

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