Valacyclovir-[d8] Hydrochloride

Category	Herpes simplex Virus (HSV)
CAS	1279033-32-7
Description	Labelled Valacyclovir. Valacyclovir is an antiviral drug used to treat infections caused by herpes viruses.

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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
Molecular Weight	368.85
Molecular Formula	C13H13D8ClN6O4
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;
InChIKey	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
Complexity	571
Exact Mass	368.1814948
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	HSV; Antibiotic