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Adefovir Diethyl Ester-[d4]

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General Information
Catalog: BLP-013012
CAS: 1189929-36-9
Molecular Formula: C12H16D4N5O4P
Molecular Weight: 333.32

Chemical Structure

Description	Adefovir Diethyl Ester-[d4] is the labelled analogue of Adefovir Diethyl Ester, which is a phosphonate ester of Adefovir, an antiviral agent.
Synonyms	Adefovir-d4 Diethyl Ester; Diethyl ((2-(6-amino-9H-purin-9-yl)ethoxy-1,1,2,2-d4)methyl)phosphonate; P-[[2-(6-Amino-9H-purin-9-yl)ethoxy-d4]methyl]phosphonic Acid Diethyl Ester; [[2-(6-Amino-9H-purin-9-yl)ethoxy-d4]methyl]phosphonic Acid Diethyl Ester
IUPAC Name	9-[1,1,2,2-tetradeuterio-2-(diethoxyphosphorylmethoxy)ethyl]purin-6-amine
Related CAS	116384-53-3 (unlabelled)
Canonical SMILES	CCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCC
InChI	InChI=1S/C12H20N5O4P/c1-3-20-22(18,21-4-2)9-19-6-5-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,3-6,9H2,1-2H3,(H2,13,14,15)/i5D2,6D2
InChI Key	SACBMARVYGBCAK-NZLXMSDQSA-N
Melting Point	130-132°C
Purity	≥98%
Solubility	Soluble in DMSO
Appearance	Off-White Solid
Storage	Store at -20°C