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Adefovir-[d4]

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Category Hepatitis B Virus (HBV)
CAS 1190021-70-5
Description Adefovir-[d4] is the labelled analogue of Adefovir, which is an antiviral drug used for the treatment of infections caused by hepatitis B virus.
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Product Information

Synonyms Adefovir D4; P-[[2-(6-Amino-9H-purin-9-yl-d4)ethoxy]methyl]phosphonic Acid; 9-(2-Phosphonylmethoxyethyl)adenine-d4; [[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosponic Acid-d4; GS 0393-d4; PMEA-d4
IUPAC Name [2-(6-aminopurin-9-yl)-1,1,2,2-tetradeuterioethoxy]methylphosphonic acid
Molecular Weight 277.21
Molecular Formula C8H8D4N5O4P
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N
InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)/i1D2,2D2
InChIKey SUPKOOSCJHTBAH-LNLMKGTHSA-N
Boiling Point 632.5±65.0 °C at 760 mmHg
Melting Point >250°C (dec.)
Flash Point 336.3±34.3 °C
Purity ≥98%; ≥99% atom D
Density 1.9±0.1 g/cm3
Solubility Soluble in DMSO (Slightly)
Appearance White to Off-white Solid
Storage Store at -20°C under inert atmosphere
Complexity 327
Exact Mass 277.087799
Index Of Refraction 1.769
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
Vapor Pressure 0.0±2.0 mmHg at 25°C
XLogP3-AA -2

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