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
• 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: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.

widow-orphan” align=left> is an antispasmodic drug, suitable for gastric and duodenal ulcers, as well as spasms of gastrointestinal tract, genital and urinary system tissues. The preparation is tablet. Adverse reactions are the same as atropine.