Iopromide

Compound Structure

CAS Number: 73334-07-3

Molecular Mass: 791.1 g/mol

Formula: C18H24I3N3O8

Smiles: COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetone 273.15 - 0.3923 [367]
Acetone 278.15 - 0.4718 [367]
Acetone 283.15 - 0.5779 [367]
Acetone 288.15 - 0.7073 [367]
Acetone 293.15 - 0.8481 [367]
Acetone 298.15 - 0.9986 [367]
Acetone 303.15 - 1.164 [367]
Acetone 308.15 - 1.347 [367]
Acetone 313.15 - 1.556 [367]
Acetone 318.15 - 1.774 [367]
Dimethylformamide 273.15 - 38.7 [367]
Dimethylformamide 278.15 - 39.72 [367]
Dimethylformamide 283.15 - 41.0 [367]
Dimethylformamide 288.15 - 42.43 [367]
Dimethylformamide 293.15 - 43.98 [367]
Dimethylformamide 298.15 - 45.85 [367]
Dimethylformamide 303.15 - 47.65 [367]
Dimethylformamide 308.15 - 49.83 [367]
Dimethylformamide 313.15 - 52.32 [367]
Dimethylformamide 318.15 - 54.76 [367]
Ethanol 273.15 - 2.114 [367]
Ethanol 278.15 - 2.457 [367]
Ethanol 283.15 - 2.941 [367]
Ethanol 288.15 - 3.462 [367]
Ethanol 293.15 - 4.008 [367]
Ethanol 298.15 - 4.574 [367]
Ethanol 303.15 - 5.147 [367]
Ethanol 308.15 - 5.826 [367]
Ethanol 313.15 - 6.568 [367]
Ethanol 318.15 - 7.36 [367]
Ethyl acetate 273.15 - 0.113 [367]
Ethyl acetate 278.15 - 0.1658 [367]
Ethyl acetate 283.15 - 0.2246 [367]
Ethyl acetate 288.15 - 0.2906 [367]
Ethyl acetate 293.15 - 0.3655 [367]
Ethyl acetate 298.15 - 0.4538 [367]
Ethyl acetate 303.15 - 0.5456 [367]
Ethyl acetate 308.15 - 0.6702 [367]
Ethyl acetate 313.15 - 0.7913 [367]
Ethyl acetate 318.15 - 0.9894 [367]
Isopropanol 273.15 - 0.539 [367]
Isopropanol 278.15 - 0.655 [367]
Isopropanol 283.15 - 0.7864 [367]
Isopropanol 288.15 - 0.937 [367]
Isopropanol 293.15 - 1.116 [367]
Isopropanol 298.15 - 1.311 [367]
Isopropanol 303.15 - 1.54 [367]
Isopropanol 308.15 - 1.796 [367]
Isopropanol 313.15 - 2.054 [367]
Isopropanol 318.15 - 2.338 [367]
Methanol 273.15 - 4.726 [367]
Methanol 278.15 - 5.598 [367]
Methanol 283.15 - 6.901 [367]
Methanol 288.15 - 8.231 [367]
Methanol 293.15 - 9.697 [367]
Methanol 298.15 - 11.19 [367]
Methanol 303.15 - 12.87 [367]
Methanol 308.15 - 14.8 [367]
Methanol 313.15 - 16.8 [367]
Methanol 318.15 - 18.91 [367]
Toluene 273.15 - 0.0753 [367]
Toluene 278.15 - 0.08169 [367]
Toluene 283.15 - 0.08952 [367]
Toluene 288.15 - 0.09803 [367]
Toluene 293.15 - 0.1064 [367]
Toluene 298.15 - 0.1155 [367]
Toluene 303.15 - 0.1244 [367]
Toluene 308.15 - 0.134 [367]
Toluene 313.15 - 0.1435 [367]
Toluene 318.15 - 0.1535 [367]

Molecule 3D descriptors

Descriptor Value
PMI1 7259.3331
PMI2 7740.9813
PMI3 13966.1763
NPR1 0.5198
NPR2 0.5543
RadiusOfGyration 4.2787
InertialShapeFactor 0.0001
Eccentricity 0.8543
Asphericity 0.2001
SpherocityIndex 0.1310
PBF 0.8880