cholecystic acid
Structural formula
| Business number | 0690 |
|---|---|
| Molecular formula | C20H14I6N2O6 |
| Molecular weight | 1139.76 |
| label |
3,3′-(adipoyl diimino)bis(2,4,6-triiodobenzoic acid), 3,3′-(Adipoyldiimino)bis(2,4,6-triiodobenzoic acid) |
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.
