Structural formula
| Business number | 0172 |
|---|---|
| Molecular formula | C12H30Br2N2 |
| Molecular weight | 362.19 |
| label |
Hexamethonium bromide, Hexane-1,6-bis(trimethylammonium bromide), N,N,N,N′,N′,N′-Hexamethylhexamethylenediammonium dibromide |
Numbering system
CAS number:55-97-0
MDL number:MFCD00011787
EINECS number:200-249-7
RTECS number:BQ8575000
BRN number:3715749
PubChem number:24278459
Physical property data
1. Character:White crystalline powder. Virtually odorless. Unsavory.
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): 274～276 -font-kerning: 0pt”>
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC, 1.60kPa): 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/Water ) Logarithmic value of partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Hygroscopic. Soluble in water and ethanol, insoluble in acetone, chloroform and ether. 1%Aqueous solutionpHfor6.2～7.0.
Toxicological data
1, acute toxicity: Rat oral LD50: 2891mg/kg; rat subcutaneous LD50 : 200mg/kg; Rat intravenous LD50: 64130ug/kg; Mouse oral LD50: 838mg/kg;
Mouse abdominal cavity LD50: 70 mg/kg; Mouse subcutaneous LD50: 78mg/kg; mouse intravenous LD50: 22mg/kg ; Rabbit vein LD50: 50300ug/kg
2, reproductive toxicity: subcutaneous in women TDLo: 46mg/kg, 31-34 days after conception
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP):
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 2
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 0
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 121
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. No Determine the number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 3
Properties and stability
None
Storage method
This product should be sealed and stored dry.
Synthesis method
Made from adipic acid as raw material
Purpose
For biochemical research. This product is a quaternary ammonium ganglion blocking drug. The blood pressure reducing effect is strong and fast. For severe hypertension. The preparation is an injection
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