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Valacyclovir hydrochloride

CAT: 0931-T1087-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T1087-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124832-27-5
Target
HSV, DNA/RNA Synthesis, Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Purity
>99.99%
Bioactivity
Valacyclovir hydrochloride (Valaciclovir hydrochloride) is an acyclovir prodrug that, upon metabolism, inhibits viral DNA replication.
Smiles
Cl.CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O
Molecular Formula
C13H20N6O4·HCl
Molecular Weight
360.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Valacyclovir Hydrochloride

Valacyclovir hydrochloride is an organic molecular entity.

CAS Number124832-27-5
PubChem CID135398741
IUPAC Name2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate;hydrochloride
Molecular FormulaC13H21ClN6O4
Molecular Weight360.80
Topological Polar Surface Area147
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity483
SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.Cl
InChI
InChI=1S/C13H20N6O4.ClH/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);1H/t8-;/m0./s1
InChIKey
ZCDDBUOENGJMLV-QRPNPIFTSA-N
Chemical Structure
2D Structure
2D structure of Valacyclovir Hydrochloride
CAS: 124832-27-5
CID: 135398741
Formula: C13H21ClN6O4
MW: 360.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.80
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass360.1312809
Monoisotopic Mass360.1312809
Topological Polar Surface Area147 Ų
Heavy Atom Count24
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 Count2
Compound Is CanonicalizedYes

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