Iocarmic Acid
Basic information
- CAS
10397-75-8- Standard SMILES
CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I- InChIKey
SMQYOVYWPWASGU-UHFFFAOYSA-N- Molecular formula
- C24H20I6N4O8
- Average molar mass
- 1,253.9 g/mol
- Monoisotopic mass
- 1,253.5549
Overview
Iocarmic acid is an organic molecular entity.
Names & identifiers
- Preferred name
- Iocarmic Acid
- IUPAC
- 3-[[6-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
- English name
- iocarmic acid
- Molecular formula
- C24H20I6N4O8
- Molecular weight
- 1253.86
Names & synonyms
Iocarmic acid10397-75-8Acido iocarmicoAcide iocarmiqueMP 2032Acidum iocarmicumDTXSID702314882PB24K6TZMP-20325,5'-(Adipoyldiimino)bis(2,4,6-triiodo-N-methylisophthalamic acid)DTXCID903148RefChem:923485
Show more names
Iocarmiciocarmic acid USP/EP/BP3,3'-[Tetramethylenebis(carbonylimino)]bis(2,4,6-triiodo-5-methylcarbamoylbenzoic acid)5,5'-[Tetramethylenebis(carbonylimino)]bis[3-(methylcarbamoyl)-2,4,6-triiodobenzoic acid]3,3'-[(1,6-Dioxohexane-1,6-diyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid]Benzoic acid, 3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]-
V08AA08233-861-83,3'-((1,6-dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo-5-(methylamino)carbonyl)benzoic acid3-(5-((3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl)carbamoyl)pentanamido)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid3-[[6-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acidBenzoic acid, 3,3'-((1,6-dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo-5-((methylamino)carbonyl)-IocarmateMielotrast
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 976
Physicochemical properties
- Melting point
- 302 ° · 302° (dec)
- Boiling point
- 868.1 · 868.1±65.0 °C(Predicted)
- Density
- 2.4238 · 2.4238 (estimate)
- pka
- 0.56 · 0.56±0.10(Predicted)
- FDA UNII
- 82 PB24K6TZ · 82PB24K6TZ
- ATC code
- 8 AA08 · V08AA08
Chemistry & industry
Pharmacology
ATC Code
V - Various
QV - Various
Applications
UsesDiagnostic aid (radiopaque medium, cholecystographic).
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Iocarmic acid is an organic molecular entity.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…