Structural formula

• 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:50-35-1

MDL number:MFCD00153873

EINECS number:200-031-1

RTECS number:TI4375000

BRN number:None

PubChem number:24278765

Physical property data

1. Properties: light yellow crystalline powder, odorless, tasteless

2. Density (g/mL, 25/4℃): Undetermined

3. Relative Vapor density (g/mL, air=1): Undetermined

4. Melting point (oC): 269-271°C

5. Boiling point (oC, normal pressure): Undetermined

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

7. Refractive index: Undetermined

8. Flash point (oC): Undetermined

9. Specific rotation (o): Undetermined

10. Autoignition point or ignition temperature (oC): Undetermined

11. Vapor pressure (kPa, 25 oC): Not determined

12. Saturated vapor pressure (kPa, 60 oC): Not determined

13. Heat of combustion (KJ/mol): Not determined Determined

14. Critical temperature (oC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water ) Log value of distribution coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined Confirm

19. Solubility: Slightly soluble in water (<0.1 g/100 mL at 22 oC), ethanol, acetone, insoluble in ether and chloroform. 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.6 mg/mL

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 62.35

2. Molar volume (cm³/mol): 171.7

3. Isotonic specific volume (90.2K ): 496.5

4. Surface tension (dyne/cm): 69.9

5. Polarizability (10-24cm3): 24.71

Calculate 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: 1

5. Number of tautomers: 8

6. Topological molecule polar surface area 83.6

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 449

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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 and stored in a dry place away from light.

Synthesis method

None

Purpose

It has a certain effect on various types of leprosy reactions, such as fever, nodular erythema, neuralgia, joint pain, lymphadenopathy, etc., but has a slightly less effective effect on tuberculosis-like leprosy reactions. It has no therapeutic effect on leprosy and can be used together with anti-leprosy drugs to reduce reactions. The preparation is a tablet. This product has strong teratogenic effects and is contraindicated in pregnancy. This medicine should not be used by people without leprosy. Side effects include dry mouth, dizziness, nausea, abdominal pain, etc.

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