Iopromide

Chemical Information
Iopromide is a dicarboxylic acid diamide that consists of N-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-dihydroxypropyl groups attached to the amide nitrogens. A water soluble x-ray contrast agent for intravascular administration. It has a role as a xenobiotic, a radioopaque medium, a nephrotoxic agent and an environmental contaminant. It is a dicarboxylic acid diamide and an organoiodine compound. It is functionally related to a glycerol and an isophthalamide.
| CAS Number | 73334-07-3 |
| PubChem CID | 3736 |
| IUPAC Name | 1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide |
| Molecular Formula | C18H24I3N3O8 |
| Molecular Weight | 791.1 |
| XLogP | -2.1 |
| Topological Polar Surface Area | 169 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 647 |
| Property | Value |
|---|---|
| Molecular Weight | 791.1 |
| XLogP3 | -2.1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 790.8698 |
| Monoisotopic Mass | 790.8698 |
| Topological Polar Surface Area | 169 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 647 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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