Basic information
- CAS
23205-04-1- Standard SMILES
CCN(C(C)=O)c1c(I)c(NC(=O)CCS(=O)(=O)CCC(=O)Nc2c(I)c(C(=O)O)c(I)c(N(CC)C(C)=O)c2I)c(I)c(C(=O)O)c1I- InChIKey
OZKKEKFKXIOSIV-UHFFFAOYSA-N- Molecular formula
- C28H28I6N4O10S
- Average molar mass
- 1,374 g/mol
- Monoisotopic mass
- 1,373.5794
Overview
RN given refers to parent cpd; see also iosulamide meglumine
Names & identifiers
- Preferred name
- 3,3'-(Sulfonylbis((1-oxo-3,1-propanediyl)imino))bis(5-(acetylethylamino)-2,4,6-triiodobenzoic acid)
- IUPAC
- 3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropyl]sulfonylpropanoylamino]-2,4,6-triiodobenzoic acid
- English name
- iosulamide
- Molecular formula
- C28H28I6N4O10S
- Molecular weight
- 1374.03
Names & synonyms
Iosulamide23205-04-1IosulamidumIosulamidaIP251KPI8EDTXSID00177786RefChem:910534DTXCID60100277245-487-23,3'-(Sulfonylbis((1-oxo-3,1-propanediyl)imino))bis(5-(acetylethylamino)-2,4,6-triiodobenzoic acid)3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropyl]sulfonylpropanoylamino]-2,4,6-triiodobenzoic acidIosulamido
Show more names
Benzoic acid, 3,3'-[sulfonylbis[(1-oxo-3,1-propanediyl)imino]]bis[5-(acetylethylamino)-2,4,6-triiodo-3,3'-[Sulfonylbis[(1-oxo-3,1-propanediyl)imino]]bis[5-[acetyl(ethyl)amino]-2,4,6-triiodobenzoic acid]
Iosulamide [INN]Iosulamide [USAN:INN]Iosulamidum [INN-Latin]Iosulamido [INN-Spanish]UNII-IP251KPI8EEINECS 245-487-2SCHEMBL2109419CHEMBL1615440
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,280
Physicochemical properties
- Boiling point
- 1183.5 · 1183.5±65.0 °C(Predicted)
- Density
- 2.434 · 2.434±0.06 g/cm3(Predicted)
- pka
- 0.79 · 0.79±0.10(Predicted)
- FDA UNII
- 251 KPI8E · IP251KPI8E
Chemistry & industry
Applications
UsesDiagnostic aid (radiopaque medium) .
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…