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.
