Laninamivir octanoate monohydrate
(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-octanoyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid;hydrate
Molecular Identity
Laninamivir octanoate monohydrate
(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-octanoyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid;hydrate
PubChem CID: 46919879
2D Structure
Properties
C21H38N4O9
Molecular Formula
490.50
Molecular Weight
g/mol
490.2639
Exact Mass
Da
197
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
723
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Laninamivir octanoate monohydrate1233643-88-3MCG28BI87WInavirLaninamivir octanoate hydrateDTXSID70153991RefChem:152256DTXCID3076482UNII-MCG28BI87WLaninamivir octanoate (hydrate)Laninamivir octanoate hydrate (JAN)(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-octanoyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid;hydrateLANINAMIVIR OCTANOATE HYDRATE [JAN]Laninamivir Octanoate Monohydrate (R 125489)orb1700174
Data from PubChem (NCBI)
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