Iron (III) oxide adipate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Iron (III) oxide adipate
- DrugBank Accession Number
- DB16084
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 144.127
Monoisotopic: 144.043355897 - Chemical Formula
- C6H8O4
- Synonyms
- Adipate
- Adipate dianion
- Adipate ion
- Adipate(2-)
- Adipic acid ion (2-)
- Hexanedioate dianion
- Hexanedioic acid, ion(2-)
Pharmacology
- Indication
Not Available
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- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- U3YC62H084
- CAS number
- 764-65-8
- InChI Key
- WNLRTRBMVRJNCN-UHFFFAOYSA-L
- InChI
- InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2
- IUPAC Name
- hexanedioate
- SMILES
- [O-]C(=O)CCCCC([O-])=O
References
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Hyperphosphataemia 1
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 52.8 mg/mL ALOGPS logP 0.49 ALOGPS logP 0.49 Chemaxon logS -0.53 ALOGPS pKa (Strongest Acidic) 3.92 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 80.26 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 54.41 m3·mol-1 Chemaxon Polarizability 13.36 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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 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]- 125.28986 predictedDeepCCS 1.0 (2019) [M+H]+ 128.56892 predictedDeepCCS 1.0 (2019) [M+Na]+ 137.35071 predictedDeepCCS 1.0 (2019)
Drug created at December 15, 2020 18:04 / Updated at December 20, 2020 03:36