chempirical

Valacyclovir hydrochloride

C13H21ClN6O4CAS 124832-27-5360.80 g/mol

Open in Covalent MOL file
H2NOOONNOHNNHHNHCl
EsterEtherPhenolPrimary amine

Properties

Molecular formula
C13H21ClN6O4
Molar mass
360.80 g/mol
Exact mass
360.1313 Da
logP
-0.13Crippen estimate
Polar surface area
152.1 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
124832-27-5
SMILES
CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(O)nc(=N)[nH]c21.Cl
InChIKey
ZCDDBUOENGJMLV-QRPNPIFTSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • BW 256
  • L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, hydrochloride (1:1)
  • 256U
  • L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, monohydrochloride
  • BW 256U87
  • 256U87 Hydrochloride
  • Valaciclovir hydrochloride
  • Valtrex
  • Zelitrex
  • 2-[(2-Amino-6-oxo-6,9-dihydro-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate hydrochloride

Work with Valacyclovir hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Valacyclovir124832-26-495 % similar Valganciclovir hydrochloride175865-59-574 % similar Valganciclovir175865-60-869 % similar N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester124832-31-162 % similar Acyclovir59277-89-355 % similar 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-849 % similar Ganciclovir82410-32-048 % similar Penciclovir39809-25-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook