Basic information
- CAS
78969-69-4- Standard SMILES
CC(=O)Nc1c(I)cc(I)c(C(=O)OCCOC(=O)NC2CCCCC2)c1I- InChIKey
WNUUWQUNTSGWGN-UHFFFAOYSA-N- Molecular formula
- C18H21I3N2O5
- Average molar mass
- 726.1 g/mol
- Monoisotopic mass
- 725.8585
Overview
hepatosplenography agent
Names & identifiers
- Preferred name
- 2,4,6-triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester
- IUPAC
- 2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate
- English name
- 2,4,6-triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester
- Molecular weight
- 0
Names & synonyms
TABAC78969-69-4DTXSID702294632,4,6-Triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl esterBenzoic acid, 3-(acetylamino)-2,4,6-triiodo-, 2-(((cyclohexylamino)carbonyl)oxy)ethyl esterRefChem:82125DTXCID901519542-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoateSCHEMBL293604732-[(cyclohexylcarbamoyl)oxy]ethyl 3-acetamido-2,4,6-triiodobenzoateTABC2,4,6-Triiodo-3-acetylaminobenzoic acid 2-[(cyclohexylcarbamoyl)oxy]ethyl ester
Database identifiers
- CAS
78969-69-4- PubChem CID
- 133147
- DTXSID
DTXSID70229463- Nikkaji
- J395.265G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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