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