Basic information
- CAS
37863-70-0- Standard SMILES
CCN(C(=O)CCC(=O)O)c1c(I)cc(I)c(NC)c1I- InChIKey
IGSPYLOKMDUVEX-UHFFFAOYSA-N- Molecular formula
- C13H15I3N2O3
- Average molar mass
- 627.98 g/mol
- Monoisotopic mass
- 627.8217
Overview
Iosumetic acid is a small molecule drug. Iosumetic acid has a monoisotopic molecular weight of 627.82 Da.
Names & identifiers
- Preferred name
- Iosumetic Acid
- IUPAC
- 4-[N-ethyl-2,4,6-triiodo-3-(methylamino)anilino]-4-oxobutanoic acid
- English name
- 4-[Ethyl[2,4,6-triiodo-3-(methylamino)phenyl]amino]-4-oxobutyric acid
- Molecular formula
- C13H15I3N2O3
- Molecular weight
- 627.98
Names & synonyms
Iosumetic acidAcido iosumeticoAcide iosumetique37863-70-0Acidum iosumeticum8738M34B4YN-Ethyl-2',4',6'-triiodo-3'-(methylamino)succinanilic acidDTXSID401913004-{ethyl[2,4,6-triiodo-3-(methylamino)phenyl]amino}-4-oxobutanoic acid4-(Ethyl(2,4,6-triiodo-3-(methylamino)phenyl)amino)-4-oxobutanoic acidRefChem:923525DTXCID10113791
Show more names
Butanoic acid, 4-[ethyl[2,4,6-triiodo-3-(methylamino)phenyl]amino]-4-oxo-
4-[Ethyl[2,4,6-triiodo-3-(methylamino)phenyl]amino]-4-oxobutyric acidIosumeticacidButanoic acid, 4-(ethyl(2,4,6-triiodo-3-(methylamino)phenyl)amino)-4-oxo-Iosumetic acid [USAN:INN]Acide iosumetique [INN-French]Acido iosumetico [INN-Spanish]Acidum iosumeticum [INN-Latin]UNII-8738M34B4Y
Database identifiers
- CAS
37863-70-0- PubChem CID
- 71432
- DTXSID
DTXSID40191300- ChEMBL
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- FDA UNII
- 8738 M34B4Y · 8738M34B4Y
Chemistry & industry
Applications
UsesDiagnostic aid (radiopaque medium).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…