Identification
- Generic Name
- Oxalic Acid
- DrugBank Accession Number
- DB03902
- Background
A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent. [PubChem]
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Oxalic Acid (DB03902)
- Weight
- Average: 90.0349
Monoisotopic: 89.995308552 - Chemical Formula
- C2H2O4
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism UProto-oncogene tyrosine-protein kinase Src Not Available Humans - 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.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 softwareAcetylsalicylic acid The excretion of Oxalic Acid can be decreased when combined with Acetylsalicylic acid. Acyclovir The excretion of Oxalic Acid can be decreased when combined with Acyclovir. Aminohippuric acid The excretion of Oxalic Acid can be decreased when combined with Aminohippuric acid. Apalutamide The excretion of Oxalic Acid can be decreased when combined with Apalutamide. Ataluren The excretion of Oxalic Acid can be decreased when combined with Ataluren. Avatrombopag The excretion of Oxalic Acid can be decreased when combined with Avatrombopag. Benzoic acid The excretion of Oxalic Acid can be decreased when combined with Benzoic acid. Benzylpenicillin The excretion of Oxalic Acid can be decreased when combined with Benzylpenicillin. Bumetanide The excretion of Oxalic Acid can be decreased when combined with Bumetanide. Cabotegravir The excretion of Oxalic Acid can be decreased when combined with Cabotegravir. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Dicarboxylic acids and derivatives
- Direct Parent
- Dicarboxylic acids and derivatives
- Alternative Parents
- Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Dicarboxylic acid or derivatives / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- alpha,omega-dicarboxylic acid (CHEBI:16995)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9E7R5L6H31
- CAS number
- 144-62-7
- InChI Key
- MUBZPKHOEPUJKR-UHFFFAOYSA-N
- InChI
- InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
- IUPAC Name
- oxalic acid
- SMILES
- OC(=O)C(O)=O
References
- Synthesis Reference
Giuseppe Messina, Giovanni M. Sechi, Loreno Lorenzoni, Giovanni Chessa, "Method of preparation of oxalic acid esters and amides." U.S. Patent US4981963, issued July, 1971.
US4981963- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0002329
- KEGG Compound
- C00209
- PubChem Compound
- 971
- PubChem Substance
- 46507830
- ChemSpider
- 946
- BindingDB
- 14674
- 1427058
- ChEBI
- 16995
- ChEMBL
- CHEMBL146755
- ZINC
- ZINC000006021239
- PDBe Ligand
- OXD
- Wikipedia
- Oxalic_acid
- PDB Entries
- 1o4n / 1t4c / 1ytm / 4inf / 4iuw / 4r2k / 4uzi / 4wj8 / 4ywb / 4z0p … show 8 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 189.5 dec °C PhysProp water solubility 2.2E+005 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992) logS 0.38 ADME Research, USCD - Predicted Properties
Property Value Source Water Solubility 65.7 mg/mL ALOGPS logP -0.51 ALOGPS logP -0.26 Chemaxon logS -0.14 ALOGPS pKa (Strongest Acidic) 1.36 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 74.6 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 14.44 m3·mol-1 Chemaxon Polarizability 6.23 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
Property Value Probability Human Intestinal Absorption + 0.5405 Blood Brain Barrier + 0.8251 Caco-2 permeable - 0.881 P-glycoprotein substrate Non-substrate 0.782 P-glycoprotein inhibitor I Non-inhibitor 0.9872 P-glycoprotein inhibitor II Non-inhibitor 0.9886 Renal organic cation transporter Non-inhibitor 0.968 CYP450 2C9 substrate Non-substrate 0.8612 CYP450 2D6 substrate Non-substrate 0.9274 CYP450 3A4 substrate Non-substrate 0.8021 CYP450 1A2 substrate Non-inhibitor 0.9621 CYP450 2C9 inhibitor Non-inhibitor 0.9267 CYP450 2D6 inhibitor Non-inhibitor 0.9593 CYP450 2C19 inhibitor Non-inhibitor 0.9828 CYP450 3A4 inhibitor Non-inhibitor 0.9751 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9962 Ames test Non AMES toxic 0.9132 Carcinogenicity Non-carcinogens 0.6444 Biodegradation Ready biodegradable 0.8559 Rat acute toxicity 1.1107 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9936 hERG inhibition (predictor II) Non-inhibitor 0.9809
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Sh3/sh2 adaptor activity
- Specific Function
- Non-receptor protein tyrosine kinase which is activated following engagement of many different classes of cellular receptors including immune response receptors, integrins and other adhesion recept...
- Gene Name
- SRC
- Uniprot ID
- P12931
- Uniprot Name
- Proto-oncogene tyrosine-protein kinase Src
- Molecular Weight
- 59834.295 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Transporters
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Sodium-independent organic anion transmembrane transporter activity
- Specific Function
- Mediates the Na(+)-independent transport of organic anions such as taurocholate, the prostaglandins PGD2, PGE1, PGE2, leukotriene C4, thromboxane B2 and iloprost.
- Gene Name
- SLCO2B1
- Uniprot ID
- O94956
- Uniprot Name
- Solute carrier organic anion transporter family member 2B1
- Molecular Weight
- 76709.98 Da
References
- Kobayashi D, Nozawa T, Imai K, Nezu J, Tsuji A, Tamai I: Involvement of human organic anion transporting polypeptide OATP-B (SLC21A9) in pH-dependent transport across intestinal apical membrane. J Pharmacol Exp Ther. 2003 Aug;306(2):703-8. Epub 2003 Apr 30. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Substrate
- General Function
- Sodium-independent organic anion transmembrane transporter activity
- Specific Function
- Plays an important role in the excretion/detoxification of endogenous and exogenous organic anions, especially from the brain and kidney. Involved in the transport basolateral of steviol, fexofenad...
- Gene Name
- SLC22A8
- Uniprot ID
- Q8TCC7
- Uniprot Name
- Solute carrier family 22 member 8
- Molecular Weight
- 59855.585 Da
References
- Race JE, Grassl SM, Williams WJ, Holtzman EJ: Molecular cloning and characterization of two novel human renal organic anion transporters (hOAT1 and hOAT3). Biochem Biophys Res Commun. 1999 Feb 16;255(2):508-14. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52