2,4,6-triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester
2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate
Also Known As: TABAC|TABC|2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate|2,4,6-Triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester|2-[(cyclohexylcarbamoyl)oxy]ethyl 3-acetamido-2,4,6-triiodobenzoate|2-[(cyclohexylcarbamoyl)oxy]ethyl 3-(acetylamino)-2,4,6-triiodobenzoate|Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-, 2-(((cyclohexylamino)carbonyl)oxy)ethyl ester|2,4,6-Triiodo-3-acetylaminobenzoic acid 2-[(cyclohexylcarbamoyl)oxy]ethyl ester
| Molecular Formula | C18H21I3N2O5 |
|---|---|
| Molecular Weight | 725.8585 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 725.8585 |
| Monoisotopic Mass | 725.8585 |
| Heavy Atoms | 28 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 83-45-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)C(=O)OCCOC(=O)NC2CCCCC2)I)I |
| InChIKey | WNUUWQUNTSGWGN-UHFFFAOYSA-N |
Product Overview
2,4,6-triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester (CAS 83-45-4), with molecular formula C18H21I3N2O5 and molecular weight 725.8585 g/mol. IUPAC: 2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate.