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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyIothalamic acid
Identification
- Name
- Iothalamic acid
- Accession Number
- DB09133
- Type
- Small Molecule
- Groups
- Approved
- Description
Iothalamic acid is an iodine containing organic anion used as a diagnostic contrast agent.
- Structure
Structure for Iothalamic acid (DB09133)
- Synonyms
- 1-deoxy-1-(methylamino)-D-glucitol 5-acetamido-2,4,6 triiodo-N-methylisophthalamate
- Iotalamic acid
- Iothalamate
- External IDs
- MI 216 / MI-216 / MI216
- Product Ingredients
Ingredient UNII CAS InChI Key Iothalamate meglumine XUW72GOP7W 13087-53-1 VLHUSFYMPUDOEL-WZTVWXICSA-N Iothalamate sodium KDN276D83N 1225-20-3 WCIMWHNSWLLELS-UHFFFAOYSA-M Iothalamate sodium I-125 31J5U3Q9ZN 17692-74-9 Not applicable Sodium Iothalamate Not Available Not Available Not applicable - Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Conray Injection 600 mg/1mL Intravascular Liebel-Flarsheim Company LLC 2003-10-14 Not applicable US 
Conray 30 Solution 300 mg Intravascular Liebel Flarsheim Company Llc 1992-01-29 Not applicable Canada 
Conray 30 Injection 300 mg/1mL Intravascular Liebel-Flarsheim Company LLC 2012-03-26 2018-09-15 US Conray 325 Solution 54.3 % Intravenous Tyco Healthcare 1979-12-31 2010-01-12 Canada Conray 400 Injection 668 mg/1mL Intravascular Mallinckrodt 1998-01-01 2009-12-31 US Conray 400 Solution 66.8 % Intravenous Tyco Healthcare 1964-12-31 2010-01-12 Canada Conray 43 Injection 430 mg/1mL Intravascular Liebel-Flarsheim Company LLC 2010-10-11 Not applicable US Conray 43 Solution 430 mg Intravascular Liebel Flarsheim Company Llc 1980-12-31 Not applicable Canada Conray 60 Solution 600 mg Intravascular Liebel Flarsheim Company Llc 1951-12-31 Not applicable Canada Cysto Conray Inj 43% Liquid 430 mg Urethral Mallinckrodt 1973-12-31 2001-03-15 Canada - Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Vascoray Iothalamate meglumine (520 mg) + Iothalamate sodium (260 mg) Solution Intra-arterial; Intravenous Tyco Healthcare 1986-12-18 2010-01-12 Canada Vascoray Iothalamate meglumine (520 mg) + Iothalamate sodium (260 mg) Solution Intra-arterial; Intravenous Tyco Healthcare 1986-12-18 2010-01-12 Canada - International/Other Brands
- Conray
- Categories
- Acids, Carbocyclic
- Alcohols
- Amino Sugars
- Benzene Derivatives
- Benzoates
- Carbohydrates
- Contrast Media
- Diagnostic Uses of Chemicals
- Hexosamines
- Iodobenzoates
- Iothalamic Acid
- Meglumine
- Radiographic Contrast Agent
- Roentgenography
- Sorbitol
- Sugar Alcohols
- Triiodobenzoic Acids
- Watersoluble, Nephrotropic, High Osmolar X-Ray Contrast Media
- X-Ray Contrast Activity
- X-Ray Contrast Media, Iodinated
- UNII
- 16CHD79MIX
- CAS number
- 2276-90-6
- Weight
- Average: 613.916
Monoisotopic: 613.76964 - Chemical Formula
- C11H9I3N2O4
- InChI Key
- UXIGWFXRQKWHHA-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)
- IUPAC Name
- 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
- SMILES
- CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
Pharmacology
- Indication
Conray is indicated for use in excretory urography, cerebral angiography, peripheral arteriography, venography, arthrography, direct cholangiography, endoscopic retrograde cholangiopancreatography, contrast enhancement of computed tomographic brain images, cranial computerized angiotomography, intravenous digital subtraction angiography and arterial digital subtraction angiography. Conray may also be used for enhancement of computed tomographic scans performed for detection and evaluation of lesions in the liver, pancreas, kidneys, abdominal aorta, mediastinum, abdominal cavity and retroperitoneal space.
- Associated Conditions
- Pharmacodynamics
- Not Available
- Mechanism of action
- Not Available
- Absorption
Renal accumulation is sufficiently rapid that maximum radiographic density in the calyces and pelves occurs, in most instances, about 3 to 8 minutes after injection. In patients with impaired renal function, diagnostic opacification frequently is achieved only after prolonged periods.
- Volume of distribution
- Not Available
- Protein binding
Iothalamate salts are poorly bound to serum albumin.
- Metabolism
- Not Available
- Route of elimination
Following intravascular injection, Conray is rapidly transported through the circulatory system to the kidneys and is excreted unchanged in the urine by glomerular filtration. The liver and small intestine provide the major alternate route of excretion. In patients with severe renal impairment, the excretion of this contrast medium through the gallbladder and into the small intestine sharply increases.
- Half life
In patients with normal renal function, the alpha and beta half-lives of Conray were approximately 10 and 90 minutes, respectively.
- Clearance
- Not Available
- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
Drug Interaction Abacavir Abacavir may decrease the excretion rate of Iothalamic acid which could result in a higher serum level. Acarbose Acarbose may decrease the excretion rate of Iothalamic acid which could result in a higher serum level. Aceclofenac Aceclofenac may decrease the excretion rate of Iothalamic acid which could result in a higher serum level. Acemetacin Acemetacin may decrease the excretion rate of Iothalamic acid which could result in a higher serum level. Acetaminophen Acetaminophen may decrease the excretion rate of Iothalamic acid which could result in a higher serum level. Acetylsalicylic acid Acetylsalicylic acid may decrease the excretion rate of Iothalamic acid which could result in a higher serum level. Aclidinium Aclidinium may decrease the excretion rate of Iothalamic acid which could result in a higher serum level. Acrivastine Iothalamic acid may decrease the excretion rate of Acrivastine which could result in a higher serum level. Acyclovir Acyclovir may decrease the excretion rate of Iothalamic acid which could result in a higher serum level. Adefovir Adefovir may decrease the excretion rate of Iothalamic acid which could result in a higher serum level. - Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
- KEGG Drug
- D01258
- PubChem Compound
- 3737
- PubChem Substance
- 310265048
- ChemSpider
- 3606
- ChEBI
- 31713
- ChEMBL
- CHEMBL1201300
- Drugs.com
- Drugs.com Drug Page
- Wikipedia
- Iotalamic_acid
- ATC Codes
- V08AA04 — Iotalamic acid
- AHFS Codes
- 36:68.00 — Roentgenography
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage forms
Form Route Strength Injection Intravascular 600 mg/1mL Injection Intravascular 300 mg/1mL Solution Intravascular 300 mg Solution Intravenous 54.3 % Injection Intravascular 668 mg/1mL Solution Intravenous 66.8 % Injection Intravascular 430 mg/1mL Solution Intravascular 430 mg Solution Intravascular 600 mg Liquid Urethral 430 mg Injection Ureteral 172 mg/1mL Solution Urethral 172 mg Injection Intravenous 1 mg/1 Injection, solution Intravenous 0.275 mCi/1mL Solution Intra-arterial; Intravenous - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.123 mg/mL ALOGPS logP 2.27 ALOGPS logP 2.73 ChemAxon logS -3.7 ALOGPS pKa (Strongest Acidic) 2.13 ChemAxon pKa (Strongest Basic) -1.7 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 95.5 Å2 ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 102.24 m3·mol-1 ChemAxon Polarizability 38.58 Å3 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzoic acids and derivatives
- Direct Parent
- Acylaminobenzoic acid and derivatives
- Alternative Parents
- P-haloacetanilides / O-haloacetanilides / 2-halobenzoic acids / 4-halobenzoic acids / Halobenzoic acids / N-acetylarylamines / Benzoic acids / Benzamides / 1-carboxy-2-haloaromatic compounds / Benzoyl derivatives show 11 more
- Substituents
- Acylaminobenzoic acid or derivatives / O-haloacetanilide / P-haloacetanilide / Haloacetanilide / Acetanilide / 2-halobenzoic acid or derivatives / 4-halobenzoic acid or derivatives / Halobenzoic acid or derivatives / 2-halobenzoic acid / 4-halobenzoic acid show 30 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
Drug created on September 29, 2015 16:06 / Updated on November 17, 2018 07:24