Ioglunide
Basic information
- CAS
56562-79-9- Standard SMILES
CC(=O)N(C)c1c(I)c(NC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(I)c(C(=O)NCCO)c1I- InChIKey
ODYPLCHSCOJEIZ-GMYJMXFCSA-N- Molecular formula
- C18H24I3N3O9
- Average molar mass
- 807.1 g/mol
- Monoisotopic mass
- 806.8647
Overview
Ioglunide is a small molecule drug. Ioglunide has a monoisotopic molecular weight of 806.86 Da.
Names & identifiers
- Preferred name
- Ioglunide
- IUPAC
- 3-[acetyl(methyl)amino]-N-(2-hydroxyethyl)-2,4,6-triiodo-5-[[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
- English name
- Ioglunide
- Molecular formula
- C18H24I3N3O9
- Molecular weight
- 807.11
Names & synonyms
IoglunideIoglunidumIoglunidaV4XU46CRKN56562-79-9RefChem:148584Ioglunide [INN]3-[acetyl(methyl)amino]-N-(2-hydroxyethyl)-2,4,6-triiodo-5-[[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide3'-((2-Hydroxyethyl)carbamoyl)-2',4',6'-triiodo-5'-(N-methylacetamido)-D-glucoanilide3'-((2-Hydroxyethyl)carbamoyl)-2',4',6'-triiodo-5'-(N-methylacetamido-D-glucoanilide2,4,6-triiodo-3-(N-hydroxyethylcarbamyl)-5-(N-methylacetamido)-N-gluconylaminobenzeneP297
Show more names
N-[3-(Acetylmethylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodophenyl]-D-gluconamideN-[3-[[(2-Hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-5-(N-methylacetylamino)phenyl]-D-gluconamideD-Gluconamide, N-[3-(acetylmethylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodophenyl]-3-[ethanoyl(methyl)amino]-N-(2-hydroxyethyl)-2,4,6-triiodo-5-[[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
Ioglunidum [INN-Latin]UNII-V4XU46CRKNIoglunida [INN-Spanish]SCHEMBL3154425DTXSID401024027NS00123997P 297P-297
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 692
Physicochemical properties
- Boiling point
- 1048.3 · 1048.3±65.0 °C(Predicted)
- Density
- 2.307 · 2.307±0.06 g/cm3(Predicted)
- pka
- 10.17 · 10.17±0.70(Predicted)
- FDA UNII
- 4 XU46CRKN · V4XU46CRKN
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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