cholecystic 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:606-17-7

mdl number:mfcd00058983

einecs number:210-105-5

rtecs number:dg0949500

brn number:none

pubchem number:24895909

physical property data

physical property data:
1. character:white powder, odorless, slightly bitter taste.

2. solubility:slightly soluble in ethanol, almost insoluble in water, chloroform or ether, soluble in sodium hydroxide and dimethylformamide solutions.

toxicological data

none

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1、 molar refractive index:179.56

2、 molar volume (m³/mol):407.0

3、 isotonic specific volume (90.2k):1247.3

4, surface tension (dyne/cm): 88.2

5, polarizability (10^-24cm³ ):71.18

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 5.5

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 9

5. number of tautomers: 6

6. topological molecule polar surface area 133

7. number of heavy atoms: 34

8. surface charge: 0

9. complexity: 714

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: 1

properties and stability

properties and stability:

no decomposition products may occur under normal temperatures and pressures.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

1. brief description of production methods

m-aminobenzoic acid as raw material be made of.

purpose

2. purpose

diagnostic medication. used for gallbladder and cholangiography. the preparation is an injection.

resource:allhdi.com