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124832-26-4

Basic Information
CAS No.: 124832-26-4
Name: Valaciclovir
Article Data: 7
Molecular Structure:
Molecular Structure of 124832-26-4 (Valaciclovir)
Formula: C13H21ClN6O4
Molecular Weight: 324.34
Synonyms: 256U87;L-VACV;L-Valine ester with 9-[(2-hydroxyethoxy)methyl]guanine;ValACV;Valcivir;L-Valine,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester;
EINECS: 1312995-182-4
Density: 1.55 g/cm3
Boiling Point: 588.4 °C at 760 mmHg
Flash Point: 309.7 °C
Appearance: white to off-white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 151.14000
LogP: 0.48390
Raw Materials
124832-31-1
Downstream Products
72-18-4
124832-27-5
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Chemistry

IUPAC Name: 2-[(2-Amino-6-oxo-3H-purin-9-yl)methoxy]ethyl(2S)-2-amino-3-methylbutanoate 
Following is the structure of Valacyclovir hydrochloride (CAS NO.124832-26-4):
                                
Molecular Formula: C13H21ClN6O4
Molecular Weight: 360.8g/mol
Index of Refraction: 1.673
Molar Refractivity: 78.41 cm3
Molar Volume: 209.1 cm3
Density: 1.55 g/cm3
Flash Point: 309.7 °C
Polarizability: 31.08 10-24cm3
Surface Tension: 62.8 dyne/cm
Enthalpy of Vaporization: 87.84 kJ/mol
Boiling Point: 588.4 °C at 760 mmHg
Vapour Pressure: 7.95E-14 mmHg at 25°C
Appearance of Valacyclovir hydrochloride (CAS NO.124832-26-4): White to off-white crystalline powder
Canonical SMILES: CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N
Isomeric SMILES: CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N
InChI: InChI=1S/C13H20N6O4/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)/t8-/m0/s1
InChIKey: HDOVUKNUBWVHOX-QMMMGPOBSA-N

Uses

 Valacyclovir hydrochloride (CAS NO.124832-26-4) is used as antiviral.

Safety Profile

Safety Information of Valacyclovir hydrochloride (CAS NO.124832-26-4):
Hazard Codes: Xi
Risk Statements: 36/37/38  
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing 

Specification

 Valacyclovir hydrochloride ,its CAS NO. is 124832-26-4 ,the synonyms is l-Valine 2-[(2-amino-1,6-dihydro-6-oxo-9h-purin-9yl)methoxy]ethyl ester ; l-Valine 2-[(2-amino-1,6-dihydro-6-oxo-9h-purin-9yl)methoxy]ethyl ester, hydrochloride salt ; l-Valine 2-(guanin-9-ylmethoxy)ethyl ester ; Valaciclovir ; Valaciclovir hcl ; Valaciclovir hydrochloride ; Valacv ; Valacyclovir . Its classification code are Anti-Infective Agents and Antiviral Agents.