This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Iodohippuric acid
- DrugBank Accession Number
- DB15445
- Background
Iodohippuric acid is under investigation in clinical trial NCT02599844 (Impact of Pediatric Acute Renal Injury in Severe Sepsis in Young Adults).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Iodohippuric acid (DB15445)
- Weight
- Average: 305.071
Monoisotopic: 304.95489 - Chemical Formula
- C9H8INO3
- Synonyms
- IODOHIPPURATE
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareSulpiride The risk or severity of adverse effects can be increased when Iodohippuric acid is combined with Sulpiride. - Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3Y68K91A3M
- CAS number
- 147-58-0
- InChI Key
- CORFWQGVBFFZHF-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
- IUPAC Name
- 2-[(2-iodophenyl)formamido]acetic acid
- SMILES
- OC(=O)CNC(=O)C1=CC=CC=C1I
References
- General References
- Not Available
- External Links
- ChemSpider
- 8295
- 314691
- ChEBI
- 140408
- ChEMBL
- CHEMBL1681
- ZINC
- ZINC000000388058
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count Not Available Withdrawn Not Available Acute Kidney Injury (AKI) / Chronic Kidney Disease (CKD) / Hypertension 2
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.209 mg/mL ALOGPS logP 1.95 ALOGPS logP 1.45 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 2.65 Chemaxon pKa (Strongest Basic) -1.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.4 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 59.48 m3·mol-1 Chemaxon Polarizability 22.87 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0090000000-892ac9bad0211a0372c3 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0fmi-9780000000-5507bbd9fd9426e6da7d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-053r-0190000000-38abe306aee8afd868c4 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0930000000-7c0c47e3e765b46c9cee Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0pc0-4390000000-bd446174e761f274fdf2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-1920000000-2b760b359b07da0e1cfb Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 143.12468 predictedDeepCCS 1.0 (2019) [M+H]+ 145.52025 predictedDeepCCS 1.0 (2019) [M+Na]+ 151.77104 predictedDeepCCS 1.0 (2019)
Drug created at May 20, 2019 15:32 / Updated at June 12, 2020 16:53