pentaxonium bromide
Structural formula
| Business number | 0223 |
|---|---|
| Molecular formula | C19H32BrNO2 |
| Molecular weight | 386.37 |
| label |
Diethyl(methyl)(2-(3-methyl-2-phenylpentanoyloxy)ethyl)ammonium bromide, Diethyl(methyl)(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammonium bromide |
Numbering system
CAS number:90-22-2
MDL number:None
EINECS number:201-977-8
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: colorless plate-shaped Crystal or white crystalline powder
2. Density ( g/mL,25/4℃) ： Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point ( ºC） ：100～101
5. Boiling point ( ºC,Normal pressure): Undetermined
6. Boiling point ( ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not OK
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturation 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) partition coefficient pair Value: Undetermined
17. Explosion limit (%,V/V): Not OK
18. Lower explosion limit (%,V/V): Not OK
19. Solubility: Almost odorless , easily absorb moisture, easily soluble in water, methanol, ethanol, acetone, insoluble in ether, benzene, carbon tetrachloride, stable in aqueous solution, and incompatible with phenobarbital sodium.
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 10
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 23
8. Surface charge: 0
9. Complexity: 319
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
None
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
With benzonitrile Made from raw materials.
Purpose
is an antispasmodic drug , suitable for gastric and duodenal ulcers, as well as spasms of gastrointestinal, genital and urinary tissue. The preparation is in the form of tablets. Adverse reactions are the same as those of atropine.
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18. Lower explosion limit (%,V/V): Not OK
19. Solubility: Almost odorless , easily absorb moisture, easily soluble in water, methanol, ethanol, acetone, insoluble in ether, benzene, carbon tetrachloride, stable in aqueous solution, and incompatible with phenobarbital sodium.
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 10
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 23
8. Surface charge: 0
9. Complexity: 319
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
None
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
With benzonitrile Made from raw materials.
Purpose
is an antispasmodic drug , suitable for gastric and duodenal ulcers, as well as spasms of gastrointestinal, genital and urinary tissue. The preparation is in the form of tablets. Adverse reactions are the same as those of atropine.
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