IUPAC name
ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
SMILES
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
Compound class
Antiviral Agents; Enzyme Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Neuraminidase Inhibitors;
Therapeutic area
Oseltamivir (Tamiflu) is for the treatment of uncomplicated acute illness due to influenza infection in patients 1 year and older who have been symptomatic for no more than 2 days. It is also used for the prophylaxis of influenza in adult patients and adolescents 13 years and older.
Common name
Oseltamivir
IUPAC name
ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
SMILES
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
INCHI
InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
FORMULA
C16H28N2O4
Common name
Oseltamivir
IUPAC name
ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
Molecular weight
312.405
clogP
1.330
clogS
-2.473
HBond Acceptor
4
HBond Donor
3
Total Polar Surface Area
90.65
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00271 | ethyl (5R)-5-aminocyclohexene-1-carboxylate |
|
NC1CC(=CCC1)C(=O)OCC | 0.0003 |
| FDBF00272 | pentan-3-ol |
|
OC(CC)CC | 0.0017 |
