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Valaciclovir

CAT: 0013-GTR19206156-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206156-02Size:50 mg
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Description
Valacyclovir is an orally administered prodrug of acyclovir, active against herpes simplex, zoster, and B viruses. It demonstrates antiviral activity in vitro, with an IC50 of 2.9 μg/mL against HSV-1, and is widely used in both in vivo and in vitro research models of herpesvirus infections.
CAS Number
124832-26-4
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
C (OCCOC ([C@H] (C (C) C) N) =O) N1C2=C (N=C1) C (=O) N=C (N) N2
Molecular Formula
C13H20N6O4
Molecular Weight
324.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Valacyclovir

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+).

CAS Number124832-26-4
PubChem CID135398742
IUPAC Name2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
Molecular FormulaC13H20N6O4
Molecular Weight324.34
XLogP-0.9
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity483
SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N
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
Chemical Structure
2D Structure
2D structure of Valacyclovir
CAS: 124832-26-4
CID: 135398742
Formula: C13H20N6O4
MW: 324.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.34
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass324.15460314
Monoisotopic Mass324.15460314
Topological Polar Surface Area147 Ų
Heavy Atom Count23
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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