Valacyclovir
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
Molecular Identity
Valacyclovir
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
PubChem CID: 135398742
Valacyclovir is a L-valyl ester. It has a role as an antiviral drug. It is functionally related to a guanine. It is a conjugate base of a valacyclovir(1+).
2D Structure
Properties
C13H20N6O4
Molecular Formula
324.34
Molecular Weight
g/mol
324.1546
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
147
TPSA
May have limited oral absorption
3
H-Bond Donors
7
H-Bond Acceptors
483
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)NIsomeric SMILES
SMILES: CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)NSynonyms(20)
valacyclovirValaciclovir124832-26-4ValACVZelitrexVal-ACVL-Valine ester with 9-((2-hydroxyethoxy)methyl)guanineL-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl esterMZ1IW7Q79DDTXSID1023732CHEBI:35854L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoateValaciclovirumL-valylacyclovir
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Valacyclovir
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