Chemical Component Summary

Name5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid
Synonyms5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid; Laninamivir octanoate
Identifiers(2R,3R,4S)-3-acetamido-4-carbamimidamido-2-[(1R,2R)-1-methoxy-3-octanoyloxy-2-oxidanyl-propyl]-3,4-dihydro-2H-pyran-6-c arboxylic acid
FormulaC21 H36 N4 O8
Molecular Weight472.533
TypeD-SACCHARIDE
Isomeric SMILES[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O
InChIInChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1
InChIKeyUKTIJASCFRNWCB-RMIBSVFLSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count5
Bond Count69
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB11888 
NameLaninamivir octanoate
Groups investigational
DescriptionLaninamivir octanoate has been used in trials studying the treatment of Asthma.
SynonymsLaninamivir octanoate
Categories
  • Acids, Acyclic
  • Amidines
  • Amino Sugars
  • Anti-Infective Agents
  • Antiviral Agents
CAS number203120-46-1

Related Resource References

Resource NameReference
PubChem 9847629
ChEMBL CHEMBL467058
ChEBI CHEBI:134741