chempirical

Valganciclovir hydrochloride

C14H23ClN6O5CAS 175865-59-5390.82 g/mol

Open in Covalent MOL file
H2NOOHOONNOHNNHHNHCl
AlcoholEsterEtherPhenolPrimary amine

Properties

Molecular formula
C14H23ClN6O5
Molar mass
390.82 g/mol
Exact mass
390.1418 Da
Melting point
143 °C
logP
-0.77Crippen estimate
Polar surface area
172.4 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
175865-59-5
SMILES
CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(O)nc(=N)[nH]c21.Cl
InChIKey
ZORWARFPXPVJLW-MTFPJWTKSA-N
InChI
InChI=1S/C14H22N6O5.ClH/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22;/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22);1H/t8?,9-;/m0./s1

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

Names and synonyms

5 names
  • L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester, hydrochloride (1:1)
  • L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester, monohydrochloride
  • RS 079070-194
  • Ro 107-9070/194
  • Valcyte

Work with Valganciclovir 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

Valganciclovir175865-60-895 % similar Valacyclovir hydrochloride124832-27-574 % similar Valacyclovir124832-26-469 % similar 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-869 % similar Ganciclovir82410-32-062 % similar N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester124832-31-146 % similar Ganciclovir sodium107910-75-846 % similar Penciclovir39809-25-145 % similar

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

Elsewhere

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