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CHEBI:134741 - laninamivir octanoate hydrate

ChEBI IDCHEBI:134741
ChEBI Namelaninamivir octanoate hydrate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H36N4O8
Net Charge0
Average Mass472.539
Monoisotopic Mass472.25331
SMILES[H][C@@]1([C@H](OC)[C@H](O)COC(=O)CCCCCCC)OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=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
ChEBI Ontology
Outgoing Relation(s)
laninamivir octanoate hydrate (CHEBI:134741) is a fatty acid ester (CHEBI:35748)
Synonyms  Source
laninamivir octanoateDrugCentral
CS-8958DrugCentral
inavirDrugCentral
Manual XrefsDatabases
4822DrugCentral
Registry NumbersSources
CAS:203120-46-1DrugCentral