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Adefovir-[d4]

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General Information
Catalog: BLP-011766
CAS: 1190021-70-5
Molecular Formula: C8H8D4N5O4P
Molecular Weight: 277.21

Chemical Structure

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.
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
Related CAS	106941-25-7 (unlabelled)
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
InChI Key	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