Basic information
- CAS
67314-29-8- Standard SMILES
CCC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(C(=O)NC)c1I.C[NH2+]CC(O)C(O)C(O)C(O)CO- InChIKey
PEDXMZAJBPKUJB-UHFFFAOYSA-N- Molecular formula
- C19H28I3N3O9
- Average molar mass
- 823.2 g/mol
- Monoisotopic mass
- 822.896
Names & identifiers
- Preferred name
- isophthalamic acid, n-methyl-5-propionylamino-2,4,6-triiodo-, n-methylglucamine salt
- IUPAC
- methyl(2,3,4,5,6-pentahydroxyhexyl)azanium;2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoate
Names & synonyms
67314-29-8N-Methyl-5-propionylamino-2,4,6-triiodoisophthalamic acid N-methylglucamine saltIsophthalamic acid, N-methyl-5-propionylamino-2,4,6-triiodo-, N-methylglucamine saltRefChem:349773
Database identifiers
- CAS
67314-29-8- PubChem CID
- 49801
Properties
Computed structural properties
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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