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L-Valacyclovir Hydrochloride

CAT: 0572-TRC-V085000-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V085000-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124832-27-5
Synonyms
Valaciclovir hydrochloride anhydrous; 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl l-valinate hydrochloride; L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, monohydrochloride; 256U; 256U87 hydrochloride; BW 256; BW 256U87; Valaciclovir hydrochloride; Valacyclovir hydrochloride; Valtrex; Zelitrex; L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, hydrochloride (1:1); Aciclovir; GW277085A; 111U90; 4793W93; 23W91
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.CC(C)[C@H](N)C(=O)OCCOCn1cnc2C(=O)NC(=Nc12)N
Molecular Formula
C13 H20 N6 O4 . Cl H
Molecular Weight
360.8
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
Additionnal Information
IUPAC name: 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°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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