Indomethacin

Structural formula

Business number	0164
Molecular formula	C19H16ClNO4
Molecular weight	357.79
label	indomethacin, anti-inflammatory indoleic acid, 1-p-Chlorobenzoyl-5-methoxy-2-methylindoleacetic acid, Indenaxin, 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:53-86-1

MDL number:MFCD00057095

EINECS number:200-186-5

RTECS number:NL3500000

BRN number:497341

PubChem number:24278173

Physical property data

1. Character:White crystal. Sensitive to light.

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC):155℃（162℃）

5. Boiling point (ºC,Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: undetermined

8. Flashpoint (ºC): Undetermined

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 water) partition coefficient: Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Decomposes when encountering strong alkali. Soluble in ethanol, ether, acetone and castor oil, almost insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 94.59

2. Molar volume (m³/mol) ：269.5

3. isotonic ratio(90.2K)：707.6

4. Surface Tension(dyne/cm)：47.4

5. Polarizability(10-24cm³)：37.49

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 68.5

7. Number of heavy atoms: 25

8. Surface charge: 0

9. Complexity: 506

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

None

Storage method

This product should be sealed in4Preserve dry.

Synthesis method

P-aminoanisole undergoes diazotization, reduction, acidification, hydrolysis, and cyclization to obtain indomethacin.

Purpose

For biochemical research. Biosynthesis of prostaglandins. The It is an anti-inflammatory product with obvious antipyretic effects. It is mainly used for rheumatic arthritis, ankylosing spondylitis, osteoarthritis, etc. that are intolerant to salicylic acid drugs or have insignificant efficacy.

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