IUPAC name
2-(pyridine-3-carbonyloxy)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
SMILES
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCOC(=O)C1=CN=CC=C1
Compound class
Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates;
Therapeutic area
Common name
Etofibrate
IUPAC name
2-(pyridine-3-carbonyloxy)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
SMILES
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCOC(=O)C1=CN=CC=C1
INCHI
InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3
FORMULA
C18H18ClNO5
Common name
Etofibrate
IUPAC name
2-(pyridine-3-carbonyloxy)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Molecular weight
363.792
clogP
3.580
clogS
-4.649
HBond Acceptor
6
HBond Donor
0
Total Polar Surface Area
74.72
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00042 | propan-2-ol |
|
CC(O)C | 0.0278 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF01437 | 4-chlorophenol |
|
Oc1ccc(cc1)Cl | 0.0072 |
| FDBF01439 | 1-chloro-4-isopropoxy-benzene |
|
O(c1ccc(cc1)Cl)C(C)C | 0.0010 |
| FDBF03004 | methyl 2-methylpropanoate |
|
O(C(=O)C(C)C)C | 0.0007 |
| FDBF03898 | methyl pyridine-3-carboxylate |
|
O(C(=O)c1cnccc1)C | 0.0010 |
| FDBF03899 | methyl 2-hydroxy-2-methyl-propanoate |
|
OC(C(=O)OC)(C)C | 0.0003 |
10 ,
2
