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propantheline bromide

Propantheline bromide structural formula

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

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��, on137-140Dehydration 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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