berbamine

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:478-61-5

mdl number:none

einecs number:207-523-5

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character:undetermined

2. density (g/ m³,25/4℃): undetermined

3. relative vapor density (g/cm³,air=1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7.   refractive index: undetermined

8. flash point (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: undetermined

toxicological data

acute toxicity: rat intraperitoneallyldlo：500mg/kg, no details except lethal dose;

orally administered to miceld50: 1700mg/kg, no details except lethal dose;

mouse transabdominal ld50: 75mg/kg, no details except lethal dose;

mouse via veinld50: 17430ug/kg, no details except lethal dose;

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1、 molar refractive index:173.32

2、 molar volume（m³/mol)：505.5

3、 isotonic specific volume (90.2k):1306.9

4、 surface tension（dyne/cm)：44.6

5、 polarizability(10^-24cm³）：68.71

compute chemical data

1. hydrophobic parameters calculate reference value (xlogp): 6.1

2. hydrogen bonding number of donors: 1

3. hydrogen bonding number of receptors: 8

4. rotatable number of chemical bonds: 3

5. interchange number of isomers: 3

6. topological molecules polar surface area (tpsa):72.9

7. number of heavy atoms:45

8. surface charge ：0

9. complexity ：963

10. isotope atomic number:0

11. determine the number of atomic stereocenters:2

12. uncertain number of atomic stereocenters:0

13. determine the number of stereocenters of chemical bonds:0

14. uncertain number of stereocenters of chemical bonds:0

15. number of covalent bond units: 1

properties and stability

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

synthesis method

none

purpose

none