Berbamine

Structural formula

Business number	051J
Molecular formula	C37H40N2O6
Molecular weight	608.71
label	None

• 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