1. Primary Information
| English name: | Valacyclovir Hydrochloride |
| CAS No.: | 124832-27-5 |
| Molecular formula: | C13H21ClN6O4 |
| Molecular weight: | 360.80 g/mol |
| SMILES: | CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.Cl |
| Structural class: | |
| Other identifiers: |
2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl L-valinate 256U87 Acyclovir, L valyl Ester acyclovir, L-valyl ester BW256U87 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | ≥98%(HPLC) | 38 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥98%(HPLC) | 89 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥98%(HPLC) | 190 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | ≥98%(HPLC) | 574 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate;hydrochloride
4.2 InChI
InChI=1S/C13H20N6O4.ClH/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/t8-;/m0./s1
4.3 InChIKey
ZCDDBUOENGJMLV-QRPNPIFTSA-N
4.4 Canonical SMILES
CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.Cl
4.5 Isomeric SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.Cl
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
