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2D Structure
Also known as:
Molecular Formula
C13H20N6O4
Molecular Weight
324.34  g/mol
InChI Key
HDOVUKNUBWVHOX-QMMMGPOBSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
2.1.2 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
2.1.3 InChI Key
HDOVUKNUBWVHOX-QMMMGPOBSA-N
2.1.4 Canonical SMILES
CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N
2.1.5 Isomeric SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N
2.2 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 324.34 g/mol
Molecular Formula C13H20N6O4
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass324.15460314 g/mol
Monoisotopic Mass324.15460314 g/mol
Topological Polar Surface Area147 A^2
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
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameValtrex
PubMed HealthValacyclovir (By mouth)
Drug ClassesAntiviral
Drug LabelVALTREX (valacyclovir hydrochloride) is the hydrochloride salt of the L-valyl ester of the antiviral drug acyclovir.VALTREX Caplets are for oral administration. Each caplet contains valacyclovir hydrochloride equivalent to 500mg or 1gram valacycl...
Active IngredientValacyclovir hydrochloride
Dosage FormTablet
Routeoral; Oral
Strengtheq 500mg base; eq 1gm base
Market StatusPrescription
CompanyGlaxosmithkline

2 of 2  
Drug NameValtrex
PubMed HealthValacyclovir (By mouth)
Drug ClassesAntiviral
Drug LabelVALTREX (valacyclovir hydrochloride) is the hydrochloride salt of the L-valyl ester of the antiviral drug acyclovir.VALTREX Caplets are for oral administration. Each caplet contains valacyclovir hydrochloride equivalent to 500mg or 1gram valacycl...
Active IngredientValacyclovir hydrochloride
Dosage FormTablet
Routeoral; Oral
Strengtheq 500mg base; eq 1gm base
Market StatusPrescription
CompanyGlaxosmithkline