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Adefovir Diphosphate-[d4] Triethylamine Salt

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General Information
Catalog: BLP-013013
CAS: 1346604-40-7
Molecular Formula: C8H10D4N5O10P3.x(C6H15N)
Molecular Weight: 437.17 (free acid)

Chemical Structure

Description	Adefovir Diphosphate-[d4] Triethylamine Salt is the labelled salt of Adefovir Diphosphate, which is a metabolite of Adefovir.
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
Related CAS	129532-77-0 (unlabelled free acid)
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;
InChI Key	CMMZUURGSBCDLQ-PBCJVBLFSA-N
Purity	≥98%
Solubility	10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C