IUPAC name
ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SMILES
CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Compound class
Platelet Aggregation Inhibitors; Hypolipidemic Agents; Omega-3 Fatty Acids;
Therapeutic area
Icosapent ethyl is used as adjunct therapy to reduce triglyceride (TG) levels in adults with severe (>500 mg/dL) hypertriglyceridemia.
Common name
Icosapent ethyl
IUPAC name
ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SMILES
CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
INCHI
InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
FORMULA
C22H34O2
Common name
Icosapent ethyl
IUPAC name
ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Molecular weight
330.504
clogP
7.141
clogS
-4.409
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
26.3
Number of Rings
0
Rotatable Bond
15
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00074 | but-1-ene |
|
C(C)C=C | 0.0100 |
| FDBF00076 | penta-1,4-diene |
|
C=CCC=C | 0.0014 |
| FDBF00077 | (Z)-pent-2-ene |
|
C(C)C=CC | 0.0065 |
| FDBF00078 | pent-1-ene |
|
C(C=C)CC | 0.0041 |
| FDBF00079 | (4Z)-hexa-1,4-diene |
|
CC=CCC=C | 0.0014 |
| FDBF00083 | (2Z,5Z)-hepta-2,5-diene |
|
C(C=CC)C=CC | 0.0014 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00190 | ethyl propanoate |
|
C(C)C(=O)OCC | 0.0086 |
15 ,
2
