Clofibrate
Structural formula
| Business number | 070H |
|---|---|
| Molecular formula | C12H15ClO3 |
| Molecular weight | 242.70 |
| label |
Ethyl p-chlorophenoxyisobutyrate, clofibrate, Chlorobutyl, 2-(4-Chlorophenoxy)-2-methylpropionic acid ethyl ester, Ethyl 2-(4-chlorophenoxy)-2-methylpropionate, Ethyl 2-(4-chlorophenoxy)isobutyrate, ClC6H4OC(CH3)2COOC2H5 |
Numbering system
CAS number:637-07-0
MDL number:MFCD00000615
EINECS number:211-277-4
RTECS number:UE9480000
BRN number:1913459
PubChem number:24278085
Physical property data
1. Characteristics: colorless to yellow transparent liquid.
2. Density (g/mL,25/4℃): 1.14
3. Relative vapor density (g/mL, Air=1): Undetermined
4. Melting point (ºC):
5. Boiling point (ºC,Normal pressure): 154
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.503
8. Flash point (ºC): 113
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient (water): Undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Insoluble in water, soluble in ethanol, acetone, chloroform, ether.
Toxicological data
None yet
Ecological data
Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 62.73
2. Molar volume (m3/mol）：211.4
3. Isotonic specific volume (90.2K）：518.5
4. Surface Tension (dyne/cm):36.1
5. Polarizability（10-24cm3):24.86
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: none
6. Topological molecule polar surface area 35.5
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 232
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Keep away from oxides and light.
Storage method
Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents. Keep away from light.
Synthesis method
According to the raw materials used, there are two main qualification routes for this product. One is to use p-aminophenol as raw material through diazotization; to produce p-chlorophenol through substitution, and then to condense; hydrolyze and acidify to produce p-chlorophenoxyisobutyl acid, and finally esterified to clofibrate. This route has longer steps and the raw material used is unstable to aminophenol, but it is relatively mature. The second method is to use phenol as raw material, which is condensed to form phenoxyisobutyric acid, and then chlorine is passed through ethanol to perform chlorination and esterification reactions to form clofibrate.
Purpose
Hyperlipidemic drug. It can inhibit the synthesis of cholesterol and triglycerides, increase the excretion of sterols, and reduce blood lipid levelsULDL has been clinically proven to be more effective in lowering triglycerides than in lowering cholesterol. When the effect is strong, triglycerides can be reduced30-40%, can lower cholesterol15-20%, suitable forⅢ;Ⅳ;ⅤType hyperlipidemia, rightⅢEspecially good for partsⅡb is also effective. In addition, this product can reduce the content of plasma fibrinogen and the viscosity of platelets, thus , it is helpful to prevent the formation of thrombosis, reduce the incidence of myocardial infarction, and is used for hyperlipidemia and arteriosclerosis. Some patients who take this product have symptoms such as nausea, vomiting, loss of appetite, abdominal distension, and diarrhea. In order to reduce gastrointestinal reactions, it is advisable to use a small dose at the beginning and gradually increase it later, but the prescribed dose should be reached in the first month of treatment. It is also best to use a tapering method when discontinuing medication. Use with caution in patients with liver and kidney dysfunction. Not for use by pregnant women. Toxicity: OralLD50Mouse1.28g/kg;rat1.65g /kg.
