Valacyclovir

Description

Valacyclovir · CAS 124832-26-4 · C13H20N6O4. UNII MZ1IW7Q79D. Melting Point: 170-172; Solubility: 174; Solubility: 3.55e+00 g/L.

Identification

CAS Registry Number	124832-26-4
PubChem CID	135398742
Molecular formula	C13H20N6O4
IUPAC name	2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
UNII (FDA)	MZ1IW7Q79D

Computed Descriptors

Molecular Weight	324.34
XLogP3	-0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	324.15460314
Monoisotopic Mass	324.15460314
Topological Polar Surface Area	147
Heavy Atom Count	23
Formal Charge	0

Physical & Chemical Properties

Melting Point	170-172
Solubility	174
Solubility	3.55e+00 g/L
LogP	-0.3
LogP	-1.3

Physical description & handling notes

• Solid
• Crystalline solid, occurs as hydrate. UV max (water): 252.8 nm (e 8530). Solubility in water: 174 mg/mL /Valacyclovir hydrochloride/
• 1.90, 7.47, and 9.43
• 164.19 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 166.89 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• White to off-white powder. MW: 360.09; maximum solubility in water at 25 °C: 174 mg/mL; pKa1 1.90; pKa2 7.47; pKa3 9.43 /Valacyclovir hydrochloride/

GHS Hazard Classification

Reported hazard statements	H302 (100%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >750
• Consumption (g per capita; approx.) in Germany (2009): 0.00916
• Consumption (g per capita) in the USA (2002): 0.225
• Preparation: T.A. Krenitsky et al., EP 308065; L.M. Beauchamp, US 4957924 (1989, 1990 both to Wellcome)
• Valacyclovir is a nucleoside analogue antiviral agent and prodrug of acyclovir which is used in therapy of herpes simplex and varicella-zoster virus infections. Valacyclovir has been associated with rare instances mild, clinically apparent liver injury.
• Breast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antiviral Agents

Synonyms

valacyclovir; Valaciclovir; 124832-26-4; ValACV; Zelitrex; Val-ACV; L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester; MZ1IW7Q79D; DTXSID1023732; CHEBI:35854; L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester; 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate; Valaciclovirum; L-valylacyclovir; L Valylacyclovir

Frequently Asked Questions

What are the CAS number and molecular formula of Valacyclovir?

CAS 124832-26-4; molecular formula C13H20N6O4; molecular weight — g/mol.

What other names is Valacyclovir known by?

valacyclovir, Valaciclovir, 124832-26-4, ValACV, Zelitrex, Val-ACV.

Is Valacyclovir classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of Valacyclovir?

Melting Point: 170-172; Solubility: 174; Solubility: 3.55e+00 g/L; LogP: -0.3.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.