IUPAC name
5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
SMILES
CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1
Compound class
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors;
Therapeutic area
For treatment of adult patients with very high elevations of serum triglyceride levels (types IV and V hyperlipidemia) who are at risk of developing pancreatitis (inflammation of the pancreas) and who do not respond adequately to a strict diet.
Common name
Gemfibrozil
IUPAC name
5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
SMILES
CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1
INCHI
InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
FORMULA
C15H22O3
Common name
Gemfibrozil
IUPAC name
5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
Molecular weight
250.333
clogP
3.652
clogS
-3.875
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
46.53
Number of Rings
1
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00240 | 2-methylpropanoic acid |
|
CC(C)C(=O)O | 0.0027 |
| FDBF02815 | 2,5-dimethylphenol |
|
c1(c(ccc(c1)C)C)O | 0.0010 |
| FDBF02816 | 2,2-dimethylpropanoic acid |
|
CC(C)(C)C(=O)O | 0.0003 |
| FDBF02817 | 2-methoxy-1,4-dimethyl-benzene |
|
COc1c(ccc(c1)C)C | 0.0010 |
| FDBF02818 | 2,2-dimethylbutanoic acid |
|
C(C)C(C)(C)C(=O)O | 0.0003 |
| FDBF02819 | 2,2-dimethylpentanoic acid |
|
CCCC(C)(C)C(=O)O | 0.0003 |
| FDBF02820 | p-xylene |
|
c1c(ccc(c1)C)C | 0.0024 |
