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Valacyclovir-[d8] Hydrochloride

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General Information
Catalog: BLP-013962
CAS: 1279033-32-7
Molecular Formula: C13H13D8ClN6O4
Molecular Weight: 368.85

Chemical Structure

Description	Labelled Valacyclovir. Valacyclovir is an antiviral drug used to treat infections caused by herpes viruses.
Synonyms	L-Valine 2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl Ester HCl; L-valine-d8
IUPAC Name	2-[(2-amino-6-oxo-5H-purin-9-yl)methoxy]ethyl (2S)-2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoate;hydrochloride
Related CAS	124832-27-5 (unlabelled)
Canonical SMILES	CC(C)C(C(=O)OCCOCN1C=NC2C1=NC(=NC2=O)N)N.Cl
InChI	InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-9H,3-4,6,14H2,1-2H3,(H2,15,18,20);1H/t8-,9?;/m0./s1/i1D3,2D3,7D,8D;
InChI Key	IJPUKVUXOHYUFY-XKJQTPRFSA-N
Purity	> 95%
Solubility	In Vitro: DMSO: 25 mg/mL (69.29 mM; Need ultrasonic) In Vivo: 1.Add each solvent one by one: 10% DMSO >> 90% corn oil Solubility: ≥ 2.5 mg/mL (6.93 mM); Clear solution 2.Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: ≥ 2.5 mg/mL (6.93 mM); Clear solution 3.Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (6.93 mM); Clear solution
Appearance	Solid Powder
Storage	Store at -20°C