Zanamivir, Antiviral agent

Key facts

CAS number

139110-80-8

Purity

>98%

Form

Solid

form

Molecular weight

332.31 Da

Molecular formula

C₁₂H₂₀N₄O₇

PubChem

60855

Nature

Synthetic

Solubility

Soluble in water to 75 mM

Biochemical name

Zanamivir

Biological description

Antiviral. Neuraminidase inhibitor. Binds active site of neuraminidase protein, preventing influenza virus escape from host. Inhibitor of virus replication in vitro and in vivo.

Canonical smiles

CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N

Isomeric smiles

CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N=C(N)N

InChi

InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1

InChiKey

ARAIBEBZBOPLMB-UFGQHTETSA-N

IUPAC Name

(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid