This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Dimercaptosuccinic acid
- DrugBank Accession Number
- DB14089
- Background
Not Available
- Type
- Small Molecule
- Groups
- Approved, Experimental
- Structure
Structure for Dimercaptosuccinic acid (DB14089)
- Weight
- Average: 182.218
Monoisotopic: 181.97075006 - Chemical Formula
- C4H6O4S2
- Synonyms
- 2,3-Dimercaptobutanedioic acid
- 2,3-Dimercaptosuccinic acid
- External IDs
- BRN 1725149
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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
Target Actions Organism UMercury chelatorHumans UArsenic chelatorHumans - 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
- No interactions found.
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Sodium dimercaptosuccinic acid Not Available Not Available AITPHKMBHQBXKM-UHFFFAOYSA-L - Brand Name Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Dimercaptosuccinic Acid DMSA Injection, powder, lyophilized, for solution 1.1 mg/1 Intravenous Anazao Health Corporation 2012-07-01 Not applicable US 
Dmsa Injection, powder, lyophilized, for solution 1 mg/1 Intravenous Ge Healthcare 2007-08-03 Not applicable US Rotop - Dmsa Injection, powder, lyophilized, for solution 1 mg/1 Intravenous ROTOP Pharmaka GmbH 2017-08-08 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Dimercaptosuccinic Acid DMSA Dimercaptosuccinic acid (1.1 mg/1) Injection, powder, lyophilized, for solution Intravenous Anazao Health Corporation 2012-07-01 Not applicable US Rotop - Dmsa Dimercaptosuccinic acid (1 mg/1) Injection, powder, lyophilized, for solution Intravenous ROTOP Pharmaka GmbH 2017-08-08 Not applicable US
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Fatty Acyls
- Sub Class
- Fatty acids and conjugates
- Direct Parent
- Thia fatty acids
- Alternative Parents
- Dicarboxylic acids and derivatives / alpha-Mercaptocarboxylic acids / Alkylthiols / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- 2-mercaptocarboxylic acid / Aliphatic acyclic compound / Alkylthiol / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Dicarboxylic acid or derivatives / Hydrocarbon derivative / Organic oxide / Organic oxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4S9JU7XF01
- CAS number
- 2418-14-6
- InChI Key
- ACTRVOBWPAIOHC-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)
- IUPAC Name
- 2,3-disulfanylbutanedioic acid
- SMILES
- OC(=O)C(S)C(S)C(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0014706
- ChemSpider
- 8988
- BindingDB
- 60868
- 2475951
- ChEMBL
- CHEMBL28721
- PharmGKB
- PA451521
- Wikipedia
- Dimercaptosuccinic_acid
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Completed Treatment Autism Disorder 1 0 Recruiting Treatment Wilson's Disease 1 Not Available Completed Not Available Lead Poisoning 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, powder, lyophilized, for solution Intravenous 1.1 mg/1 Injection, powder, lyophilized, for solution Intravenous 1 mg/1 Injection, powder, lyophilized, for solution Intravenous 1 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 2.43 mg/mL ALOGPS logP 0.56 ALOGPS logP 0.26 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 3.37 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 74.6 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 38.47 m3·mol-1 Chemaxon Polarizability 15.47 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-000l-5900000000-e15344a40a9ac2221bd8 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03e9-1900000000-f7a157bbd04bb3071699 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udj-0900000000-b2f6e5f8262fe8ae013e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0076-7900000000-d751aa6514b1ef86f2ba Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-1900000000-d36a93feac580a53708c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000x-9200000000-b7f641d0ae02060057ba Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0005-9000000000-b8176add9801e23afbc4 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]- 132.1412938 predictedDarkChem Lite v0.1.0 [M-H]- 127.57144 predictedDeepCCS 1.0 (2019) [M+H]+ 131.38226 predictedDeepCCS 1.0 (2019) [M+Na]+ 140.16571 predictedDeepCCS 1.0 (2019)
Targets
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Unknown
Chelator
References
- Atti SK, Silver EM, Chokshi Y, Casteel S, Kiernan E, Dela Cruz R, Kazzi Z, Geller RJ: All that glitters is not gold: Mercury poisoning in a family mimicking an infectious illness. Curr Probl Pediatr Adolesc Health Care. 2020 Mar 6:100758. doi: 10.1016/j.cppeds.2020.100758. [Article]
Unknown
Chelator
References
- Chille D, Cassone G, Giacobello F, Giuffre O, Nardo VM, Ponterio RC, Saija F, Sponer J, Trusso S, Foti C: Removal of As(III) from Biological Fluids: Mono- versus Dithiolic Ligands. Chem Res Toxicol. 2020 Apr 20;33(4):967-974. doi: 10.1021/acs.chemrestox.9b00506. Epub 2020 Mar 24. [Article]
Drug created at June 18, 2018 16:32 / Updated at May 29, 2021 18:15