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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:50-55-5

MDL number:MFCD00005091

EINECS number:200-047-9

RTECS number:ZG0350000

BRN number:102014

PubChem number:24278208

Physical property data

1. Properties: Long prismatic crystals or white powder. Odorless. 2. Density (g/mL, 25/4?): Undetermined

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

4. Melting point (ºC): 264~2655 .       Boiling point (ºC, normal pressure): Not determined

6.      Boiling point (ºC, 5.2 kPa): Not determined

7.      Refractive index: 177 ° (C=1, DMF)

8. Flash point (ºC): Undetermined

9. Specific rotation (º): -118° (chloroform), -164° (c=0.96, pyridine)

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

11. Vapor pressure (kPa, 25 ºC): Undetermined

12. Saturated vapor Pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Easily soluble in chloroform (about 1g/6ml ), tetrachloromethane, glacial acetic acid, soluble in benzene, ethyl acetate, slightly soluble in acetone, methanol, ethanol (1g/1800ml), ether, acetic acid solution and citric acid solution, very slightly soluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 160.93

2. Molar volume (cm³/mol): 458.1

3. Isotonic specific volume(90.2K): 1274.4

4. Surface tension (dyne/cm): 59.8

5. Polarizability (10-24cm3): 63.80

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 10

4. Number of rotatable chemical bonds: 10

5. Number of tautomers: none

6. Topological molecule polar surface area 118

7. Number of heavy atoms: 44

8. Surface charge: 0

9. Complexity: 1000

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 6

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 and stored in a dry place away from light.

Synthesis method

This strain is an alkaloid extracted from the gum that precipitates when the all-alkali plant (Rauwolfia genus) of the Apocynaceae family (Rauwolfia) is concentrated in the acid permeate solution, and is produced by chemical synthesis. However, there is currently no synthetic method to produce value, and they are all extracted from Rauwolfia rauwolfia. Take the colloidal substance that precipitates when the acidic percolation liquid of Rauwolfia vulgaris is evaporated and concentrated, add ethanol and glacial acetic acid to obtain an acidic ethanol solution, and then extract it with chloroform to obtain a chloroform solution. It is extracted with acetone in a sexual solution and refined to obtain reserpine. Since this product is highly susceptible to oxidation and deterioration, the entire production process must be conducted away from light. The total yield is about 0.01% for crude drugs and about 0.5% for colloids.

Purpose

Biochemical research. Medicine (antihypertensive drugs)

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