AC1Q4PBI
5-[acetyl(2-hydroxyethyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
Also Known As: KST-1B3551|1,3-Benzenedicarboxamide, 5-(acetyl(2-hydroxyethyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodo-|5-[acetyl(2-hydroxyethyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide|5-[Acetyl(2-hydroxyethyl)amino]-N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamide|N~1~,N~3~-Bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxyethyl)acetamido]-2,4,6-triiodo-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamide
| Molecular Formula | C20H28I3N3O8 |
|---|---|
| Molecular Weight | 818.9011 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 818.9011 |
| Monoisotopic Mass | 818.9011 |
| Heavy Atoms | 34 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 35944-01-5 |
|---|---|
| SMILES | CC(=O)N(CCO)C1=C(C(=C(C(=C1I)C(=O)N(C)CC(CO)O)I)C(=O)N(C)CC(CO)O)I |
| InChIKey | FJOILPFCKCMXRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1Q4PBI (CAS 35944-01-5), with molecular formula C20H28I3N3O8 and molecular weight 818.9011 g/mol. IUPAC: 5-[acetyl(2-hydroxyethyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.