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Acyclovir-[d4]

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Category Herpes simplex Virus (HSV)
CAS 1185179-33-2
Description Acyclovir-[d4] is the labelled analogue of Acyclovir. Acyclovir is a medication against infections caused by virus. It is indiacated for the treatment of herpes simplex virus infections, chickenpox, and shingles.
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Product Information

Synonyms Acyclovir-d4; 2-Amino-1,9-dihydro-9-[(2-hydroxyethoxy-d4)methyl]-6H-Purin-6-one; 9-[(2-Hydroxyethoxy-d4)methyl]guanine; Acycloguanosine-d4; Acicloftal-d4; Cargosil-d4; Gerpevir-d4; Herpevir-d4; Zovirax-d4; Zyclir-d4
IUPAC Name 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one
Molecular Weight 229.23
Molecular Formula C8H7D4N5O3
Canonical SMILES C1=NC2=C(N1COCCO)N=C(NC2=O)N
InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)/i1D2,2D2
InChIKey MKUXAQIIEYXACX-LNLMKGTHSA-N
Boiling Point 613.1±65.0 °C at 760 mmHg
Melting Point >215°C (dec.)
Flash Point 324.6±34.3 °C
Purity ≥98%; ≥98% atom D
Density 1.8±0.1 g/cm3
Solubility Soluble in DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
Appearance White to Pale Beige Solid
Storage Store at -20°C under inert atmosphere
Complexity 308
Exact Mass 229.111298
Index Of Refraction 1.762
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target HSV; Bacterial; Apoptosis; Antibiotic
Vapor Pressure 0.0±1.9 mmHg at 25°C
XLogP3-AA -1.9

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