Ioprocemic acid (CED0000100)

Record Information
Version1.0
Creation Date2026-04-15 17:24:47 UTC
Update Date2026-05-14 20:34:29 UTC
Accession NumberCHEM137046
Identification
Common NameIoprocemic acid
ClassSmall Molecule
Description
Ioprocemic acid belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C13H14I3NO3. With an average molecular weight of 612.97 g/mol, Ioprocemic acid is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H14I3NO3
Average Molecular Mass612.972 g/mol
Monoisotopic Mass612.811 g/mol
CAS Registry Number1456-52-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCN(C(C)=O)C1=C(I)C(CCC(O)=O)=C(I)C=C1I
InChI IdentifierInChI=1S/C13H14I3NO3/c1-3-17(7(2)18)13-10(15)6-9(14)8(12(13)16)4-5-11(19)20/h6H,3-5H2,1-2H3,(H,19,20)
InChI KeyLLLMGEDYKIIGPY-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5320.0Log mg/kg[3000:9500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureUracil nucleotide/cysteinyl leukotriene receptorQ09QM4Rattus norvegicusPredicted (SEA)7.08428
Click to view 3D structureUracil nucleotide/cysteinyl leukotriene receptorQ6NS65Mus musculusPredicted (SEA)4.9045
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)1279.53
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)1734.48
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)358.418
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)1028.93
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)4804.23
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)5422.82
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)813.914
Thyroid hormone receptor alpha structureClick to view 3D structureThyroid hormone receptor alphaP10827HumansPredicted (SEA)225.062
Thyroid hormone receptor beta structureClick to view 3D structureThyroid hormone receptor betaP10828HumansPredicted (SEA)422.566
Lysine-specific demethylase 2A structureClick to view 3D structureLysine-specific demethylase 2AQ9Y2K7HumansPredicted (SEA)210.193
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)668.413
Click to view 3D structureTyrosine 3-monooxygenaseP04177Rattus norvegicusPredicted (SEA)42.8171
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)1206.9
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)3115.06
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)3546.65
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)4157.62
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)4697.73
Click to view 3D structureReplicative DNA helicaseA0A6L8Q2B7Bacillus anthracisPredicted (SEA)153.441
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)92.0956
Click to view 3D structureSolute carrier organic anion transporter family member 1C1Q9ERB5Mus musculusPredicted (SEA)20.3186
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)2451.39
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)6080.88
Uracil nucleotide/cysteinyl leukotriene receptor structureClick to view 3D structureUracil nucleotide/cysteinyl leukotriene receptorQ13304HumansPredicted (SEA)123.547
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available