chempirical

Famciclovir

C14H19N5O4CAS 104227-87-4321.34 g/mol

Open in Covalent MOL file
OONNNHNHNOO
Ester

Properties

Molecular formula
C14H19N5O4
Molar mass
321.34 g/mol
Exact mass
321.1437 Da
Melting point
102–104 °C
logP
0.37Crippen estimate
Polar surface area
123.0 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
7

Identifiers

CAS number
104227-87-4
SMILES
CC(=O)OCC(CCn1cnc2c[nH]c(=N)nc21)COC(C)=O
InChIKey
GGXKWVWZWMLJEH-UHFFFAOYSA-N
InChI
InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)

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

Names and synonyms

13 names · show all
  • 1,3-Propanediol, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, 1,3-diacetate
  • 1,3-Propanediol, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, diacetate (ester)
  • BRL 42810
  • Famvir
  • FCV
  • 9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-aminopurine
  • 9-[4-Acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine
  • Famcyclovir
  • Famcivir
  • Famtrex
  • Fanxiluowei
  • [2-(Acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate
  • 2-[(Acetyloxy)methyl]-4-(2-amino-9H-purin-9-yl)butyl acetate

Work with Famciclovir

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

1,1′-[2-[2-(2-Amino-6-chloro-9H-purin-9-yl)ethyl]-1,3-propanediyl] diacetate97845-60-868 % similar 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate172529-93-041 % similar 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-839 % similar 2-Aminopurine riboside4546-54-737 % similar Tri-O-acetylguanosine6979-94-835 % similar N-[9-[[2-(Acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]acetamide86357-14-433 % similar 2-Ethylhexyl acetate103-09-331 % similar Penciclovir39809-25-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook