Valganciclovir

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Systematic / IUPAC Name: 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl L-valinate

ID: Reference3546

Other Names: L-Valine, ester with ganciclovir;
2-[(2-Amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate;
5-Amino-3-[1-(hydroxymethyl)-2-(L-valyloxy)ethoxymethyl]-6,7-dihydro-3H-imidazo[4,5-d]pyrimidin-7-one;
L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester

Formula: C14H22N6O5

Class: Therapeutics/Prescription Drugs

Spectral Data

Valganciclovir mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 49
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/12/2016 11:28:32 AM
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Identificators

InChI InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
InChI Key WPVFJKSGQUFQAP-GKAPJAKFSA-N
Canonical SMILES CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N
CAS 175865608
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Other Names L-Valine, ester with ganciclovir;
2-[(2-Amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate;
5-Amino-3-[1-(hydroxymethyl)-2-(L-valyloxy)ethoxymethyl]-6,7-dihydro-3H-imidazo[4,5-d]pyrimidin-7-one;
L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester

In Other Databases

ChEBI CHEBI:63635
ChemSpider 57721
PubChem 64147
Wikipedia Valganciclovir
DrugBank DB01610
HMDb HMDB15548
ChemIDPlus 175865608
KEGG D02495