Iophendylate Description
Iophendylate is a mixture of isomers used as contrast medium, mainly for brain and spinal cord visualization. Iophendylate is a myelographic oil-ester (U.S. Patent 2,348,231). Iophendylate, which was never shown to be safe, was initially introduced for use in small amounts (1-2cc) for locating spinal tumors. It next appeared on the world scene for high volume (12-15cc), routine use, in diagnosing disc herniations. A number of clinicians have published on the dangers of oil myelography. In 1942 Van Wagenen (a neurosurgical colleague of Warrens, at the University of Rochester) identified Iophendylate as causing chemical meningitis in 30 patients where space-displacing masses within the spinal canal were suspected. Structure
Structure for HMDB15318 (Iophendylate)
Synonyms
Value Source IsophendylateMeSH MaiodilMeSH MyodilMeSH EthiodanMeSH IofendylateMeSH IoglunideMeSH PanthopaqueMeSH IodophendylateMeSH
Chemical Formlia
C19H29IO2 Average Molecliar Weight
416.3368 Monoisotopic Molecliar Weight
416.121223592 IUPAC Name
ethyl 10-(2-iodophenyl)undecanoate Traditional Name
iophendylate CAS Registry Number
99-79-6 SMILES
InChI Identifier
InChI Key
IWRUDYQZPTVTPA-UHFFFAOYSA-N Chemical Taxonomy Description
This compound belongs to the class of chemical entities known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene. Kingdom
Chemical entities Super Class
Organic compounds Class
Benzenoids Sub Class
Benzene and substituted derivatives Direct Parent
Iodobenzenes Alternative Parents
Substituents
Molecliar Framework
Aromatic homomonocyclic compounds External Descriptors
Not Available Ontology Status
Expected but not Quantified Origin
Biofunction
Application
Cellliar locations
Physical Properties State
Liquid Experimental Properties
Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water Solubility2.52e-05 g/LNot Available LogP7.7Not Available
Predicted Properties
Property Value Source Water Solubility2.52e-05 mg/mLALOGPS logP6.79ALOGPS logP6.89ChemAxon logS-7.2ALOGPS pKa (Strongest Basic)-7ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count1ChemAxon Hydrogen Donor Count0ChemAxon Polar Surface Area26.3 Å2ChemAxon Rotatable Bond Count12ChemAxon Refractivity101.6 m3·mol-1ChemAxon Polarizability41.29 Å3ChemAxon Number of Rings1ChemAxon Bioavailability0ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon
Spectra Spectra
Spectrum Type Description Splash Key Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
Biological Properties Cellliar Locations
Biofluid Locations
Tissue Location
Not Available Pathways
Not Available Normal Concentrations
Biofluid Status Value Age Sex Condition Reference Details BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01187details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01187
details
Abnormal Concentrations
Not Available Associated Disorders and Diseases Disease References
None Associated OMIM IDs
None External Links DrugBank ID
DB01187 DrugBank Metabolite ID
Not Available Phenol Explorer Compound ID
Not Available Phenol Explorer Metabolite ID
Not Available FoodDB ID
Not Available KNApSAcK ID
Not Available Chemspider ID
2301035 KEGG Compound ID
Not Available BioCyc ID
Not Available BiGG ID
Not Available Wikipedia Link
Not Available NuGOwiki Link
HMDB15318 Metagene Link
HMDB15318 METLIN ID
Not Available PubChem Compound
3037234 PDB ID
Not Available ChEBI ID
Not Available
References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References Not Available