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O-Acetyl N-Benzyloxycarbonyl Valganciclovir-[d5]

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General Information
Catalog: BLP-013070
CAS: 1356354-05-6
Molecular Formula: C24H25D5N6O8
Molecular Weight: 535.56

Chemical Structure

Description	O-Acetyl N-Benzyloxycarbonyl Valganciclovir-[d5] is the labelled analogue of O-Acetyl N-Benzyloxycarbonyl Valganciclovir, which is used to protect Valganciclovir, a pro-drug of Ganciclovir.
Synonyms	O-Acetyl N-Benzyloxycarbonyl Valganciclovir D5; N-[(Phenylmethoxy)carbonyl]-L-valine 3-(Acetyloxy)-2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]propyl Ester-d5; 3-Acetoxy-2-((2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy)propyl-1,1,2,3,3-d5 ((benzyloxy)carbonyl)-L-valinate
IUPAC Name	[3-acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,3,3-pentadeuteriopropyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Related CAS	194159-22-3 (unlabelled)
Canonical SMILES	CC(C)C(C(=O)OCC(COC(=O)C)OCN1C=NC2=C1N=C(NC2=O)N)NC(=O)OCC3=CC=CC=C3
InChI	InChI=1S/C24H30N6O8/c1-14(2)18(27-24(34)37-9-16-7-5-4-6-8-16)22(33)36-11-17(10-35-15(3)31)38-13-30-12-26-19-20(30)28-23(25)29-21(19)32/h4-8,12,14,17-18H,9-11,13H2,1-3H3,(H,27,34)(H3,25,28,29,32)/t17?,18-/m0/s1/i10D2,11D2,17D
InChI Key	MPEPPXVLNHJWMG-YSZZYQCNSA-N
Solubility	Soluble in DMSO, Methanol
Appearance	Off-White Solid