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Valacyclovir-[d4] Hydrochloride

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General Information
Catalog: BLP-008213
CAS: 1331910-75-8
Molecular Formula: C13H16D4N6O4.HCl
Molecular Weight: 364.82

Chemical Structure

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.
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
Related CAS	124832-27-5 (unlabelled) 124832-26-4 (unlabelled free base) 1132753-28-6 (free base)
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])OC(=O)[C@H](C(C)C)N)OCN1C=NC2=C1N=C(NC2=O)N.Cl
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;
InChI Key	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