berbamine
structural formula
| business number | 051j |
|---|---|
| molecular formula | c37h40n2o6 |
| molecular weight | 608.71 |
| label |
none |
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