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Chemical structure of Laninamivir octanoate

GC62251

Laninamivir octanoate

Also known as (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-octanoyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Laninamivir octanoate (CS-8958), a prodrug of Laninamivir, is a long-acting neuraminidase (NA) inhibitor with anti-influenza virus activity

ChemicalCAS203120-46-1MW472.53FormulaC21H36N4O8
CAS number
203120-46-1
Molecular weight
472.53
Formula
C21H36N4O8
Solubility
DMSO ： 100 mg/mL (211·63 mM; Need ultrasonic)
InChIKey
UKTIJASCFRNWCB-RMIBSVFLSA-N
Catalogue number
GC62251
Brand
GLPBIO
Computed properties PubChem CID 9847629 · XLogP 0.4 · TPSA 196 Ų · H-bond donors 5
XLogP
0.4
TPSA
196 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
15
Heavy atoms
33

SMILES CCCCCCCC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O

Computed descriptors from PubChem (CID 9847629), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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