This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Oxaloacetic acid
- DrugBank Accession Number
- DB16921
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Oxaloacetic acid (DB16921)
- Weight
- Average: 132.071
Monoisotopic: 132.005873229 - Chemical Formula
- C4H4O5
- Synonyms
- 2-oxobutanedioic acid
- Anhydrous enol-oxaloacetate
- Bioepg
- Ketosuccinic acid
- Oxalacetic acid
- Oxalacetic acid trans-(z)-enol form
- Oxaloacetate
- Oxosuccinic acid
- External IDs
- NSC-77688
- OAA
Pharmacology
- Indication
Not Available
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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
- 2F399MM81J
- CAS number
- 328-42-7
- InChI Key
- KHPXUQMNIQBQEV-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
- IUPAC Name
- 2-oxobutanedioic acid
- SMILES
- OC(=O)CC(=O)C(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000223
- KEGG Compound
- C00036
- ChemSpider
- 945
- BindingDB
- 23230
- 1661329
- ChEBI
- 30744
- ChEMBL
- CHEMBL1794791
- ZINC
- ZINC000001532521
- Wikipedia
- Oxaloacetic_acid
Clinical Trials
- Clinical Trials
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 57.1 mg/mL ALOGPS logP -0.68 ALOGPS logP -0.042 Chemaxon logS -0.36 ALOGPS pKa (Strongest Acidic) 2.41 Chemaxon pKa (Strongest Basic) -9.9 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 91.67 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 24.33 m3·mol-1 Chemaxon Polarizability 10.12 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)
Not Available
Drug created at September 13, 2022 15:29 / Updated at December 01, 2022 11:32