benatidine hydrochloride

May 30, 2024by admin0

benatirizine hydrochloride structural formula

structural formula

business number	018k
molecular formula	c20h26clno3
molecular weight	363.88
label	2-(diethylamino)ethyl benzilate hydrochloride, benzilic acid 2-(diethylamino)ethyl ester hydrochloride

numbering system

cas number:57-37-4

mdl number:mfcd00012624

einecs number:200-324-4

rtecs number:dd2800000

brn number:none

pubchem number:24891970

physical property data

1. appearance: white or almost white crystalline powder. odorless, slightly bitter taste.

2. density (g/ml,25/4℃)： span>undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc):177-181

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific 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. burning heat (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. explosion lower limit (%,v/v): undetermined

19. solubility:25℃100mlthis product can be dissolved in water14.9g, almost insoluble in ether.

toxicological data

1, acute toxicity: human oral tdlo: 14ug/kg; rat oral ld50: 184mg/kg; rat intraperitoneal ld50: 100mg/kg; mouse oral ld50: .160mg/kg;
mouse abdominal cavity ld50: 76mg/kg; mouse subcutaneous ld50: 250mg/kg; mouse intravenous ld50: 14300ug /kg; mouse intradermal ld50: 350mg/kg; rabbit intraperitoneal ld50：100mg/kg;
rabbit vein ld50: 15mg/kg; guinea pig abdominal cavity ld50：100mg/kg
2, reproductive toxicity: male rats subcutaneously tdlo: 500ug/kg, 1 days before mating

ecological data

none

molecular structure data

1. molar refractive index: 94.60

2. molar volume (m³/mol）：293.4

3. isotonic specific volume (90.2k):755.8

4. surface tension (dyne/cm):43.9

5. polarizability(10^-24cm³): 37.50

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 9

5. number of tautomers: none

6. topological molecule polar surface area 49.8

7. number of heavy atoms: 25

8. surface charge: 0

9. complexity: 351

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 should be sealed, dry and protected from light.

synthesis method

composed of diphenyl glycolic acid and1-chlorine– 2diethylaminoethane is obtained by reacting toluene, diphenyl glycolic acid and 1-chlorine-2-diethylaminoethane is heated and refluxed in the reaction pot3h, cool and crystallize, and the crude product obtained by filtration is refined and this product is obtained.

purpose

anticholinergic drugs.