CHEBI:35854 - valacyclovir

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ChEBI Name valacyclovir
ChEBI ID CHEBI:35854
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H20N6O4
Net Charge 0
Average Mass 324.33594
Monoisotopic Mass 324.155
InChI InChI=1S/C13H20N6O4/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)/t8-/m0/s1
InChIKey HDOVUKNUBWVHOX-QMMMGPOBSA-N
SMILES CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
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ChEBI Ontology
Outgoing valacyclovir (CHEBI:35854) has functional parent guanine (CHEBI:16235)
valacyclovir (CHEBI:35854) has role antiviral drug (CHEBI:36044)
valacyclovir (CHEBI:35854) is a L-valyl ester (CHEBI:35855)
IUPAC Name
2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate
Synonyms Sources
L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine ChemIDplus
L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester ChemIDplus
Manual Xrefs Databases
2798 DrugCentral
LSM-5571 LINCS
Valacyclovir Wikipedia
View more database links
Registry Numbers Types Sources
124832-26-4 CAS Registry Number ChemIDplus
8160931 Beilstein Registry Number Beilstein
Last Modified
22 February 2017