Ursodeoxycholic acid Ursodeoxycholic acid

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:128-13-2

MDL number:MFCD00003680

EINECS number:204-879-3

RTECS number:FZ2000000

BRN number:3219888

PubChem number:24900651

Physical property data

1. Properties: white powder.

2. Melting point (℃): 200-204

3. Solubility: Easily soluble in ethanol, insoluble in chloroform; soluble in glacial acetic acid, soluble in sodium hydroxide test solution.

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 109.65

2. Molar volume (cm³/mol): 347.8

3. Isotonic specific volume (90.2K): 905.9

4. Surface tension (dyne/cm): 46.0

5. Polarizability (10^-24cm³): 43.46

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 4.9

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 77.8

7. Number of heavy atoms: 28

8. Surface charge: 0

9. Complexity: 605

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 10

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

It has the effects of dissolving gallstones, inhibiting blood cholesterol deposition, calming the liver, promoting choleretics, and detoxifying. Its sodium salt is stronger than other bile acids in promoting liver glycogen storage, fatty acid hydrolysis and hypoglycemic effects.

Storage method

Storage Shade from light and stored in an airtight container.

Synthesis method

Purpose

Gallstone dissolving medicine.