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Valacyclovir HCl hydrate

View entire compound with spectra: 2 FTIR, and 1 Raman

Valacyclovir HCl hydrate
SpectraBase Compound ID Immd02wtrl3
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
InChIKey KNOVZDRKHSHEQN-JZGIKJSDSA-N
Mol Weight 378.817 g/mol
Molecular Formula C13H23ClN6O5
Exact Mass 378.141846 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID FSD2PzghsOR
Name Valacyclovir HCl, hydrate
Source of Sample Sigma-Aldrich Inc.
Catalog Number V9889
Lot Number 088K47201
Accessory DurasamplIR II
CAS Registry Number 124832-27-5
Classification Antiviral drug
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23ClN6O5
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
InChIKey KNOVZDRKHSHEQN-JZGIKJSDSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms (S)-2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl-2-amino-3-methylbutanoate; Valtrex
Technique ATR-Neat (DuraSamplIR II)