Valaciclovir hydrochloride monohydrateProduct ingredient for Valaciclovir
- Name
- Valaciclovir hydrochloride monohydrate
- Drug Entry
- Valaciclovir
Valaciclovir (valacyclovir), also known as Valtrex, is an antiviral drug that has been used to manage and treat various herpes infections for more than 2 decades. It was initially approved by the FDA in 1995 Label and marketed by GlaxoSmithKline 8. Valacyclovir is the L-valine ester of aciclovir. It is a member of the purine (guanine) nucleoside analog drug class 10. This class of drugs forms an important part of hepatitis, HIV, and cytomegalovirus drug regimens 4.
One major use of valacyclovir is the treatment of genital herpes episodes or outbreaks. Genital herpes is a frequently diagnosed sexually transmitted disease which currently affects more than 400 million individuals worldwide. It is caused by infection with the herpes simplex virus (HSV). Infection with this virus is lifelong with periodic episodes of reactivation 5.
- Accession Number
- DBSALT003100
- Structure
Structure for Valaciclovir hydrochloride monohydrate (DBSALT003100)
- Synonyms
- Valaciclovir HCl hydrate / Valaciclovir HCl monohydrate / Valaciclovir hydrochloride hydrate / Valacyclovir hydrochloride monohydrate
- UNII
- JF64RVR4E3
- CAS Number
- 521915-75-3
- Weight
- Average: 378.81
Monoisotopic: 378.1418456 - Chemical Formula
- C13H23ClN6O5
- InChI Key
- KNOVZDRKHSHEQN-JZGIKJSDSA-N
- InChI
- InChI=1S/C13H20N6O4.ClH.H2O/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;1H2/t8-;;/m0../s1
- IUPAC Name
- 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate hydrate hydrochloride
- SMILES
- O.Cl.CC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1N=C(N)NC2=O
- External Links
- ChemSpider
- 10173123
- Predicted Properties
Property Value Source Water Solubility 3.48 mg/mL ALOGPS logP -0.98 ALOGPS logP -0.58 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 10.16 Chemaxon pKa (Strongest Basic) 7.48 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 146.85 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 81.07 m3·mol-1 Chemaxon Polarizability 32.75 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon