CAS Number124832-27-5
Synonyms2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester monohydrochloride; MFCD01861507; 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate hydrochloride; L-Valine 2-(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-ylmethoxy)ethyl Ester Hydrochloride Hydrate; Valaciclovir; 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl valinate hydrochloride (1:1); 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl-(2S)-2-amino-3-methylbutanoathydrochlorid; Valacyclovir hydrochloride; Zelitrex; Valaciclovir hydrochloride; Valaciclovir HCl; 256u; L-Valine 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester monohydrochloride; Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, hydrochloride (1:1); Valacyclovir hydrochloride hydrate; Valacyclov
Molecular FormulaC13H21ClN6O4
Molecular Weight360.80 (anhydrous basis)
Purity≥98 (HPLC)%
Density1.55g/cm3
Boiling Point588.4ºC at 760 mmHg
Melting Point170-172ºC
Appearancesolid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 124832-27-5 |
| Catalog No. | 2A-9012899 |
| Chinese Name | 盐酸伐昔洛韦 |
| Synonyms | 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester monohydrochloride; MFCD01861507; 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate hydrochloride; L-Valine 2-(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-ylmethoxy)ethyl Ester Hydrochloride Hydrate; Valaciclovir; 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl valinate hydrochloride (1:1); 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl-(2S)-2-amino-3-methylbutanoathydrochlorid; Valacyclovir hydrochloride; Zelitrex; Valaciclovir hydrochloride; Valaciclovir HCl; 256u; L-Valine 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester monohydrochloride; Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, hydrochloride (1:1); Valacyclovir hydrochloride hydrate; Valacyclov |
| Molecular Formula | C13H21ClN6O4 |
| Molecular Weight | 360.80 (anhydrous basis) |
| Purity | ≥98 (HPLC) |
| Density | 1.55g/cm3 |
| Boiling Point | 588.4ºC at 760 mmHg |
| Melting Point | 170-172ºC |
| Appearance | solid |
| Water Solubility | Water solubility: soluble |
| Storage Condition | Refrigerator |
| Application | Valacyclovir hydrochloride is an anti-HSV compound. |
| HTC | 2933990090 |
| PubChem ID | 329830241 |
| SMILES | O.Cl.CC(C)[C@H](N)C(=O)OCCOCn1cnc2C(=O)NC(N)=Nc12 |
| 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 |
| InChI Key | KNOVZDRKHSHEQN-JZGIKJSDSA-N |
| NACRES Code | NA.32 |
| UNSPSC | 12352200 |
| Hazard Symbols | Transport |
| MSDS | msds/12899_1_124832_27_5.pdf |
| Bioactivity | Valacyclovir hydrochloride is an antiviral drug used in the management of herpes simplex, herpes zoster, and herpes B. Target: HSVValacyclovir is an antiviral drug used in the management of herpes simplex, herpes zoster, and herpes B. VACV uptake was concentration dependent and saturable with a Michaelis-Menten constant and maximum velocity of 1.64 ± 0.06 mM and 23.34 ± 0.36 nmol/mg protein/5 min, respectively. A very similar Km value was obtained in hPEPT1/CHO cells and in rat and rabbit tissues and Caco-2 cells, suggesting that hPEPT1 dominates the intestinal transport properties of VACV in vitro . For treatment of a first episode of genital herpes, a large comparative trial has shown that valacyclovir (1 g twice a day) is as effective as acyclovir (200 mg five times a day) when given for 10 days. For treating recurrences, two trials show that valacyclovir is as effective as acyclovir (200 mg five times a day) with a treatment period of 5 days. A daily dose of 1 g of valacyclovir is as effective as 2 g daily. Valacyclovir can be administered once a day. The concentrations of acyclovir in serum and CSF were measured at steady state after 6 days of oral treatment with 1,000 mg of valacyclovir three times a day. EC50 values of PE and AC in 3T3 cells were 0.02 and 0.01 ug/ml, while values in BHK cells were 0.2 and 0.03 ug/ml. Treatment of infected immunosuppressed mice and FA and VA (b.i.d., 5.5 days) reduced the proportion with erythema from 100% to 24% and 38%, and eliminated ear paralysis, ear lesions (vesicles, etc) and death. Virus was absent from ear and brainstem by day 6, but reappeared after discontinuation in mice treated with VA. Related Catalog Signaling Pathways >> Anti-infection >> HSV Research Areas >> Infection References [1]. Valacyclovir. New indication: for genital herpes, simpler administration. Can Fam Physician. 1999 Jul;45:1698-700, 1703-5. [2]. Lycke J, et al. Acyclovir levels in serum and cerebrospinal fluid after oral administration of valacyclovir. Antimicrob Agents Chemother. 2003 Aug;47(8):2438-41. [3]. Comparison of efficacies of famciclovir and valaciclovir against herpes simplex virus type 1 in a murineimmunosuppression model. Antimicrob Agents Chemother. 1995 May;39(5):1114-9. [4]. Dhaliwal DK, Romanowski EG, Yates KA, Valacyclovir inhibits recovery of ocular HSV-1 after experimental reactivation by excimer laser keratectomy. Cornea. 1999 Nov;18(6):693-9. [5]. Guo A, Hu P, Balimane PV, Interactions of a nonpeptidic drug, valacyclovir, with the human intestinal peptide transporter (hPEPT1) expressed in a mammalian cell line.J Pharmacol Exp Ther. 1999 Apr;289(1):448-54. Chemical & Physical Properties Density 1.55g/cm3 Boiling Point 588.4ºC at 760 mmHg Melting Point 170-172ºC Molecular Formula C13H21ClN6O4 Molecular Weight 360.797 Flash Point 309.7ºC Exact Mass 360.131287 PSA 151.14000 LogP 1.28590 Vapour Pressure 7.95E-14mmHg at 25°C Index of Refraction 1.673 Storage condition Refrigerator |
| Use of | Properties Name Valacyclovir Hydrochloride Hydrate Synonym More Synonyms Valacyclovir hydrochloride Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> HSV Research Areas >> Infection References [1]. Valacyclovir. New indication: for genital herpes, simpler administration. Can Fam Physician. 1999 Jul;45:1698-700, 1703-5. [2]. Lycke J, et al. Acyclovir levels in serum and cerebrospinal fluid after oral administration of valacyclovir. Antimicrob Agents Chemother. 2003 Aug;47(8):2438-41. [3]. Comparison of efficacies of famciclovir and valaciclovir against herpes simplex virus type 1 in a murineimmunosuppression model. Antimicrob Agents Chemother. 1995 May;39(5):1114-9. [4]. Dhaliwal DK, Romanowski EG, Yates KA, Valacyclovir inhibits recovery of ocular HSV-1 after experimental reactivation by excimer laser keratectomy. Cornea. 1999 Nov;18(6):693-9. [5]. Guo A, Hu P, Balimane PV, Interactions of a nonpeptidic drug, valacyclovir, with the human intestinal peptide transporter (hPEPT1) expressed in a mammalian cell line.J Pharmacol Exp Ther. 1999 Apr;289(1):448-54. Chemical & Physical Properties Exact Mass 360.131287 PSA 151.14000 LogP 1.28590 Index of Refraction 1.673 Storage condition Refrigerator |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available |
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