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Valganciclovir EP Impurity R

CAT: 1596-AR-V06252-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V06252-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1654737-32-2
Synonyms
(2RS) -2-[ (2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl) methoxy]-3-chloropropyl L-valinate (as per EP)
Molecular Formula
C14H21ClN6O4
Molecular Weight
372.81
API Name
Valganciclovir

Chemical Information

2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-chloropropyl Valinate Hydrochloride
CAS Number1654737-32-2
PubChem CID168354984
IUPAC Name[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-chloropropyl] (2S)-2-amino-3-methylbutanoate;hydrochloride
Molecular FormulaC14H22Cl2N6O4
Molecular Weight409.3
Topological Polar Surface Area147
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity531
SMILES
CC(C)[C@@H](C(=O)OCC(CCl)OCN1C=NC2=C1N=C(NC2=O)N)N.Cl
InChI
InChI=1S/C14H21ClN6O4.ClH/c1-7(2)9(16)13(23)24-4-8(3-15)25-6-21-5-18-10-11(21)19-14(17)20-12(10)22;/h5,7-9H,3-4,6,16H2,1-2H3,(H3,17,19,20,22);1H/t8?,9-;/m0./s1
InChIKey
BGUFTZRDDXNFAQ-MTFPJWTKSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-chloropropyl Valinate Hydrochloride
CAS: 1654737-32-2
CID: 168354984
Formula: C14H22Cl2N6O4
MW: 409.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass408.1079586
Monoisotopic Mass408.1079586
Topological Polar Surface Area147 Ų
Heavy Atom Count26
Formal Charge0
Complexity531
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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