Basic information
- CAS
31127-82-9- Standard SMILES
O=C(CCOCCOCCOCCOCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
WWVAPFRKZMUPHZ-UHFFFAOYSA-N- Molecular formula
- C26H26I6N2O10
- Average molar mass
- 1,287.9 g/mol
- Monoisotopic mass
- 1,287.5856
Overview
Iodoxamic acid is an organic molecular entity.
Names & identifiers
- Preferred name
- Iodoxamic Acid
- IUPAC
- 3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
- English name
- iodoxamic acid
- Molecular formula
- C26H26I6N2O10
- Molecular weight
- 1287.92
Names & synonyms
Iodoxamic acidVideocolangioEndomirabil31127-82-9Acido iodoxamicoAcide iodoxamiqueEndobilIodoxamidAcidum iodoxamicumSQ 21982B-10610DTXSID4057710
Show more names
BC-17Iodoxamiciodoxamic acid USP/EP/BP3,3'-[Ethylenebis(oxyethyleneoxyethylenecarbonylimino)]bis(2,4,6-triiodobenzoic acid)3,3'-[(1,16-Dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)diimino]bis(2,4,6-triiodobenzoic acid)Benzoic acid, 3,3'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)diimino]bis[2,4,6-triiodo-3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
B 10610NS1Y283HW4SQ-219823,3'-(Ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(2,4,6-triiodobenzoic acid)DTXCID80314993,3'-((1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-dily)diimino)bis(2,4,6-triiodobenzoic acid)RefChem:923515V08AC01
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 868
Experimental & physicochemical properties
LogP1.42
Physicochemical properties
- Boiling point
- 977.7 · 977.7±65.0 °C(Predicted)
- Density
- 2.423 · 2.423±0.06 g/cm3(Predicted)
- pka
- 1.8 · pKa 1.8/2.8(H2O,t = 25) (Uncertain)
- FDA UNII
- 1 Y283HW4 · NS1Y283HW4
- ATC code
- 8 AC01 · V08AC01
Chemistry & industry
Pharmacology
ATC Code
V - Various
QV - Various
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
Applications
UsesDiagnostic aid (radiopaque medium).
Upstream & downstream products
Upstream raw materials
Suppliers3 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Iodoxamic acid is an organic molecular entity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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