Valacyclovir-[d4] Hydrochloride

Category	Herpes simplex Virus (HSV)
CAS	1331910-75-8
Description	Valacyclovir-[d4] Hydrochloride is the labelled analogue of Valacyclovir Hydrochloride, which is a derivative of valacyclovir. valacyclovir is an antiviral drug used in the management of herpes simplex, herpes zoster and herpes B.

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Synonyms	Valacyclovir-d4 Hydrochloride; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester-d4 monohydrochloride
IUPAC Name	[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] (2S)-2-amino-3-methylbutanoate;hydrochloride
Molecular Weight	364.82
Molecular Formula	C13H16D4N6O4.HCl
Canonical SMILES	CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(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;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1/i3D2,4D2;
InChIKey	ZCDDBUOENGJMLV-SRNSESIXSA-N
Melting Point	163-166°C
Purity	≥95%; ≥98% atom D
Solubility	Slightly soluble in Methanol, Water
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C
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