Basic information
- CAS
18555-27-6- Standard SMILES
CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I.CNCC(O)C(O)C(O)C(O)CO- InChIKey
TXKOGNLDVKUFSI-UHFFFAOYSA-N- Molecular formula
- C19H28I3N3O9
- Average molar mass
- 823.2 g/mol
- Monoisotopic mass
- 822.896
Names & identifiers
- Preferred name
- Isopaque cerebral
- IUPAC
- 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Names & synonyms
Isopaque cerebralDTXSID4027474818555-27-6RefChem:349748DTXCID80226206SCHEMBL308691693-Acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid--1-deoxy-1-(methylamino)hexitol (1/1)
Database identifiers
- CAS
18555-27-6- PubChem CID
- 23664
- DTXSID
DTXSID40274748
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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