Structural formula

Business number	013K
Molecular formula	C23H30NO3Br
Molecular weight	448.4
label	propantheline bromide, Prubenzin, Propanthyl bromide, (2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate

• 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:50-34-0

MDL number:MFCD00050291

EINECS number:200-030-6

RTECS number:BP8249200

BRN number:None

PubChem number:24278660

Physical property data

1. Character:White or off-white crystalline powder. Odorless and extremely bitter.

2. Density (g/mL ,25/4℃): Undetermined

3. Relative vapor density (g/mL,air=1): Undetermined

4. Melting point (oC):159-161°C

5. Boiling point (oC,Normal pressure): Undetermined

6. Boiling point (oC, 5.2 kPa): 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, 25 oC): Undetermined

12. Saturated vapor pressure (kPa,60 oC): 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 partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility:Easily soluble in water(>=10 g/100 mL at 21 oC), ethanol or chloroform, insoluble In ether.

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: 4

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 28

8. Surface charge: 0

9. Complexity: 474

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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 is sealed and stored in a dry place away from light.

Synthesis method

Xanton-9-Carboxylic acid and diisopropylaminoethanol ester in xylene??, on137-140℃Dehydration reaction10h. After the reaction is completed, add activated carbon for decolorization and cool to 0℃, pressure filtration, and the filtrate is decompressed to recover xylene and excess Diisopropylaminoethanol, xanthene-9- Carboxylic acid-β-Diisopropylaminoethyl ester. Then react with methyl bromide to form a quaternary ammonium salt to prepare propantheline bromide.

Purpose

anticholinergic and antispasmodic, Has similar effects to atropine. It is suitable for gastric and duodenal ulcers, gastritis, pancreatitis, intestinal spasm, hyperhidrosis and pregnancy vomiting.

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