Iosulamide sodium
Basic information
- CAS
76874-89-0- 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.[Na+].[Na+]- InChIKey
DWJYYZSCACWGOS-UHFFFAOYSA-L- Molecular formula
- C28H26I6N4Na2O10S
- Average molar mass
- 1,418 g/mol
- Monoisotopic mass
- 1,417.5433
Names & identifiers
- Preferred name
- Iosulamide sodium
- IUPAC
- disodium;3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxylato-2,4,6-triiodoanilino]-3-oxopropyl]sulfonylpropanoylamino]-2,4,6-triiodobenzoate
Names & synonyms
Iosulamide sodiumSodium iosulamide76874-89-0DTXSID80227677Benzoic acid, 3,3'-(sulfonylbis(ethylenecarbonylimino))bis(5-(N-ethylacetamido)-2,4,6-triiodo-, disodium saltRefChem:349476DTXCID30150168Disodium 3,3'-{sulfonylbis[(1-oxopropane-3,1-diyl)azanediyl]}bis[5-(N-ethylacetamido)-2,4,6-triiodobenzoate]
Database identifiers
- CAS
76874-89-0- PubChem CID
- 53554
- DTXSID
DTXSID80227677- Nikkaji
- J87.247D
Properties
Computed structural properties
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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