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N-t-Boc-valacyclovir-[d4]

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General Information
Catalog: BLP-013069
CAS: 1346617-11-5
Molecular Formula: C18H24D4N6O6
Molecular Weight: 428.48

Chemical Structure

Description	N-t-Boc-valacyclovir-[d4] is the labelled analogue of N-t-Boc-valacyclovir, which is an impurity of Acyclovir.
Synonyms	N-t-Boc-valacyclovir D4; N-tert-Butoxycarbonyl-L-valine-2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl Ester-d4
IUPAC Name	[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CAS	502421-44-5 (unlabelled)
Canonical SMILES	CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)NC(=O)OC(C)(C)C
InChI	InChI=1S/C18H28N6O6/c1-10(2)11(21-17(27)30-18(3,4)5)15(26)29-7-6-28-9-24-8-20-12-13(24)22-16(19)23-14(12)25/h8,10-11H,6-7,9H2,1-5H3,(H,21,27)(H3,19,22,23,25)/t11-/m0/s1/i6D2,7D2
InChI Key	FGLBYLSLCQBNHV-YUQOGSRCSA-N
Solubility	Soluble in Dimethyl Sulfoxide, Methanol
Appearance	Off-White Solid
Storage	Store at -20°C under inert atmosphere