hyoscyamine (-)-hyoscyamine

structural formula

• 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:101-31-5

mdl number:mfcd00067306

einecs number:202-933-0

rtecs number:nh0875000

brn number:none

pubchem id:none

physical property data

1. properties: white crystalline powder, odorless, bitter and spicy. easy to racemize, the aqueous solution is alkaline.

2. density (g/ml, 20℃): undetermined

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

4. melting point (ºc): 108.5

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

6. boiling point (ºc, kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): 21

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 25ºc): not determined

12. saturated vapor pressure (kpa, 25ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v) : undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: easily soluble in ethanol and dilute acid, easily soluble in chloroform, soluble in water, ether and benzene.

toxicological data

acute toxicity: human route unknown ldlo: 1471μg/kg; mouse intravenous injection ld50: 95mg/kg;

ecological data

none yet

molecular structure data

1. molar refractive index: 80.78

2. molar volume (cm³/mol): 242.4

3. isotonic specific volume (90.2k ): 646.1

4. surface tension (dyne/cm): 50.4

5.   dielectric constant:

6. dipole moment (10^-24cm³):

7. pole transformation rate: 32.02

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 1.8

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 5

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 49.8

7. number of heavy atoms: 21

8. surface charge: 0

9. complexity: 353

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 3

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters number: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

belladonna extract is extracted and refined.

purpose

biochemical research, anticholinergic drugs and reagents for detecting gold.