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Adefovir Diphosphate-[d4] Triethylamine Salt

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Category Hepatitis B Virus (HBV)
CAS 1346604-40-7
Description Adefovir Diphosphate-[d4] Triethylamine Salt is the labelled salt of Adefovir Diphosphate, which is a metabolite of Adefovir.
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Product Information

Synonyms Adefovir-d4 Diphosphate Triethylamine Salt; Diphosphoric Acid Anhydride P-[[2-(6-Amino-9H-purin-9-yl)ethoxy-d4]-methyl] phosphonic Acid; PMEApp-d4 Triethylamine Salt; PMEA-DP-d4 Triethylamine Salt; 9-(2-(Phosphonomethoxy)ethyl)adenine diphosphate-d4 Triethylamine Salt; N-(2-Diphosphorylphosphonylmethoxyethyl)-adenine-d4 Triethylamine Salt
IUPAC Name [2-(6-aminopurin-9-yl)-1,1,2,2-tetradeuterioethoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid;N,N-diethylethanamine
Molecular Weight 437.17 (free acid)
Molecular Formula C8H10D4N5O10P3.x(C6H15N)
Canonical SMILES CCN(CC)CC.C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N
InChI InChI=1S/C8H14N5O10P3.C6H15N/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-21-5-24(14,15)22-26(19,20)23-25(16,17)18;1-4-7(5-2)6-3/h3-4H,1-2,5H2,(H,14,15)(H,19,20)(H2,9,10,11)(H2,16,17,18);4-6H2,1-3H3/i1D2,2D2;
InChIKey CMMZUURGSBCDLQ-PBCJVBLFSA-N
Purity ≥98%
Solubility 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.
Target HBV; Reverse Transcriptase

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