Molecular Identity
Oseltamivir
ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate
PubChem CID: 65028
Oseltamivir is a cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza. It has a role as a xenobiotic, an antiviral drug, a prodrug, an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor and an environmental contaminant. It is a member of acetamides, a cyclohexenecarboxylate ester, an amino-acid ester and a primary amino compound.
2D Structure
Properties
C16H28N2O4
Molecular Formula
312.40
Molecular Weight
g/mol
312.2049
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
90.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
418
Complexity
SMILES
Canonical SMILES
SMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCCIsomeric SMILES
SMILES: CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCCSynonyms(20)
oseltamivir196618-13-0Tamvir(-)-oseltamivirGS-4104ebilfuminoseltamivirumGS 4104GS4104HSDB 7433Ro-640796ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylateRo-64-0796Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylateRo 640796
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Oseltamivir
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