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Valaciclovir EP Impurity N

CAT: 1299-RM-V010310-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V010310-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2519847-26-6
Synonyms
(S) -2- ((6-oxo-2- ((((6-oxo-6,9-dihydro-1H-purin-2-yl) amino) methyl) amino) -1H-purin-9 (6H) -yl) methoxy) ethyl 2-amino-3-methylbutanoate
Molecular Formula
C19H25N11O5
Molecular Weight
487.47
Target Alternative Name
Valaciclovir
Product Name Synonym
(S) -2- ((6-oxo-2- ((((6-oxo-6,9-dihydro-1H-purin-2-yl) amino) methyl) amino) -1H-purin-9 (6H) -yl) methoxy) ethyl 2-amino-3-methylbutanoate

Chemical Information

Guaninyl Valacyclovir
CAS Number2519847-26-6
PubChem CID135565411
IUPAC Name2-[[6-oxo-2-[[(6-oxo-1,7-dihydropurin-2-yl)amino]methylamino]-1H-purin-9-yl]methoxy]ethyl (2S)-2-amino-3-methylbutanoate
Molecular FormulaC19H25N11O5
Molecular Weight487.5
XLogP-1.3
Topological Polar Surface Area215
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity881
SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)NCNC3=NC4=C(C(=O)N3)NC=N4)N
InChI
InChI=1S/C19H25N11O5/c1-9(2)10(20)17(33)35-4-3-34-8-30-7-25-12-14(30)27-19(29-16(12)32)24-6-23-18-26-13-11(15(31)28-18)21-5-22-13/h5,7,9-10H,3-4,6,8,20H2,1-2H3,(H2,24,27,29,32)(H3,21,22,23,26,28,31)/t10-/m0/s1
InChIKey
CWGDDERXPJNSSV-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Guaninyl Valacyclovir
CAS: 2519847-26-6
CID: 135565411
Formula: C19H25N11O5
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP3-1.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass487.20401294
Monoisotopic Mass487.20401294
Topological Polar Surface Area215 Ų
Heavy Atom Count35
Formal Charge0
Complexity881
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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Alternative Products

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AR-V06196-01Valaciclovir Impurity 1
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CS-O-61238Valaciclovir Nitroso Impurity 2
AR-A01347-01Valaciclovir EP Impurity E
AR-A01373-01Valaciclovir EP Impurity M
AR-A01368-01Valaciclovir EP Impurity K
CS-EO-01478Valaciclovir EP Impurity Q
AR-A01361-01Valaciclovir EP Impurity N
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