Acediasulfone
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Identification
- Generic Name
- Acediasulfone
- DrugBank Accession Number
- DB08926
- Background
Acediasulfone (INN) is an antimicrobial and antimalarial long-acting prodrug of dapsone.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 306.337
Monoisotopic: 306.067427636 - Chemical Formula
- C14H14N2O4S
- Synonyms
- Acediasulfone
- Acediasulfonum
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
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 Acediasulfone sodium M45G7BJL52 127-60-6 GPNYXGDUKNYCNI-UHFFFAOYSA-M
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acids
- Alternative Parents
- Benzenesulfonyl compounds / Phenylalkylamines / Aniline and substituted anilines / Secondary alkylarylamines / Sulfones / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Primary amines / Organopnictogen compounds show 3 more
- Substituents
- Alpha-amino acid / Amine / Amino acid / Aniline or substituted anilines / Aromatic homomonocyclic compound / Benzenesulfonyl group / Benzenoid / Carbonyl group / Carboxylic acid / Hydrocarbon derivative show 15 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 30YP2YHH8W
- CAS number
- 80-03-5
- InChI Key
- FKKUMFTYSTZUJG-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H14N2O4S/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18)
- IUPAC Name
- 2-{[4-(4-aminobenzenesulfonyl)phenyl]amino}acetic acid
- SMILES
- [H]N([H])C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)N([H])CC(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 66451
- PubChem Substance
- 175427158
- ChemSpider
- 59823
- BindingDB
- 50099670
- ChEBI
- 135300
- ChEMBL
- CHEMBL48396
- ZINC
- ZINC000000000862
- Wikipedia
- Acediasulfone
- MSDS
- Download (608 KB)
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.179 mg/mL ALOGPS logP 1.45 ALOGPS logP 0.67 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 3.02 Chemaxon pKa (Strongest Basic) 2.01 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 109.49 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 80.57 m3·mol-1 Chemaxon Polarizability 30.25 Å3 Chemaxon Number of Rings 2 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0pb9-1930000000-1e228c1fc9664c772e31 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0049000000-c2649cd57c99fd2f3176 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0019000000-8a4930ba5a39bb95abfa Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052r-0393000000-1b5878622905e853c2dd Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0bt9-0079000000-1fe2848275e2ee80d0cf Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4l-3921000000-60f2083e651a82c00b36 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0900000000-055379fb6928ae5251b9 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]- 187.1041016 predictedDarkChem Lite v0.1.0 [M-H]- 168.93004 predictedDeepCCS 1.0 (2019) [M+H]+ 188.5906016 predictedDarkChem Lite v0.1.0 [M+H]+ 171.28804 predictedDeepCCS 1.0 (2019) [M+Na]+ 187.9570016 predictedDarkChem Lite v0.1.0 [M+Na]+ 177.79408 predictedDeepCCS 1.0 (2019)
Drug created at October 08, 2013 20:34 / Updated at December 02, 2023 06:59