Basic information
- CAS
100568-85-2- Standard SMILES
O=C(CCOCCOCCOCCOCCC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I)Nc1c(I)cc(I)c(C(=O)[O-])c1I.[Na+].[Na+]- InChIKey
HGRQOYAKTUQPTC-UHFFFAOYSA-L- Molecular formula
- C26H24I6N2Na2O10
- Average molar mass
- 1,331.9 g/mol
- Monoisotopic mass
- 1,331.54947153
Names & identifiers
- Preferred name
- Iodoxamate sodium
- IUPAC
- disodium;3-[3-[2-[2-[2-[3-(3-carboxylato-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoate
- English name
- iodoxamic acid sodium salt
- Molecular formula
- C26H24I6N2Na2O10
- Molecular weight
- 1331.88252
Names & synonyms
Iodoxamate sodiumSodium iodoxamate100568-85-2DTXSID70143397Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(2,4,6-triiodo-, sodium salt (1:2)RefChem:349473DTXCID2065888iodoxamic acid sodium saltdisodium;3-[3-[2-[2-[2-[3-(3-carboxylato-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoateDisodium 3,3'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)bis(azanediyl)]bis(2,4,6-triiodobenzoate)Disodium3-[3-[2-[2-[2-[3-(3-carboxylato-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoate
Database identifiers
- CAS
100568-85-2- PubChem CID
- 57943
- DTXSID
DTXSID70143397
Properties
Computed structural properties
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 857
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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