Basic information
- CAS
5591-33-3- Standard SMILES
CNC(=O)c1c(I)c(NC(=O)CCCCCCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I- InChIKey
RXUVYYAWLAIABB-UHFFFAOYSA-N- Molecular formula
- C28H28I6N4O8
- Average molar mass
- 1,310 g/mol
- Monoisotopic mass
- 1,309.6175
Overview
Iosefamic acid is an amidobenzoic acid.
Names & identifiers
- Preferred name
- Iosefamic Acid
- IUPAC
- 3-[[10-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-10-oxodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
- English name
- losefamic acid
- Molecular formula
- C28H28I6N4O8
- Molecular weight
- 1309.97
Names & synonyms
Iosefamic acidAcido iosefamico5591-33-3Acide iosefamiqueAcidum iosefamicumMP-271DRT553A48WDTXSID80204509RefChem:1087419DTXCID60127000losefamic acid5,5'-(Sebacoyldiimino)bis(2,4,6-triiodo-N-methylisophthalamic acid)
Show more names
5,5'-[Octamethylenebis(carbonylimino)]bis[3-(methylcarbamoyl)-2,4,6-triiodobenzoic acid]3,3'-[(1,10-Dioxodecane-1,10-diyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid]Benzoic acid, 3,3'-[(1,10-dioxo-1,10-decanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]-3-[[10-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-10-keto-decanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid3-[[10-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]amino]-10-oxo-decanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
3-[[10-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-10-oxodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acidAcidum josefamicumBenzoic acid, 3,3'-((1,10-dioxo-1,10-decanediyl)diimino)bis(2,4,6-triiodo-5-((methylamino)carbonyl)-Acidum iosefamicum [INN-Latin]Iosefamic acid [USAN:INN]Acide iosefamique [INN-French]Acido iosefamico [INN-Spanish]MP 271
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- Melting point
- 279.25 °C · 279.25°C
- Boiling point
- 891.6 · 891.6±65.0 °C(Predicted)
- Density
- 2.2471 · 2.2471 (estimate)
- form
- A solid
- pka
- 0.56 · 0.56±0.10(Predicted)
- FDA UNII
- 553 A48W · DRT553A48W
- Toxicity
- 50 ivn-rat: · LD50 ivn-rat: 6600 mg/kg JMCMAR 9,964,66
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 ivn-rat: 6600 mg/kg JMCMAR 9,964,66
Chemistry & industry
Applications
UsesDiagnostic aid (radiopaque medium).
Suppliers1 total
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Additional notes
DefinitionChEBI: Iosefamic acid is an amidobenzoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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