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.