This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Acesulfame
- DrugBank Accession Number
- DB16868
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Acesulfame (DB16868)
- Weight
- Average: 163.15
Monoisotopic: 162.993928819 - Chemical Formula
- C4H5NO4S
- Synonyms
- Acesulfame
- Acesulfamo
- Acetosulfame
Pharmacology
- Indication
Not Available
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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
- 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
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Ingredient UNII CAS InChI Key Acesulfame potassium 23OV73Q5G9 55589-62-3 WBZFUFAFFUEMEI-UHFFFAOYSA-M
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MA3UYZ6K1H
- CAS number
- 33665-90-6
- InChI Key
- YGCFIWIQZPHFLU-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
- IUPAC Name
- 6-methyl-3,4-dihydro-1,2lambda6,3-oxathiazine-2,2,4-trione
- SMILES
- CC1=CC(=O)NS(=O)(=O)O1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0033585
- ChemSpider
- 33607
- BindingDB
- 50367132
- 1310546
- ChEBI
- 83501
- ChEMBL
- CHEMBL176687
- ZINC
- ZINC000002009976
- PDBe Ligand
- AUD
- Wikipedia
- Acesulfame_potassium
- PDB Entries
- 5wg7 / 5wgp
Clinical Trials
- Clinical Trials
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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 11.4 mg/mL ALOGPS logP -0.1 ALOGPS logP -0.55 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 3.02 Chemaxon pKa (Strongest Basic) -6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 72.47 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 33.54 m3·mol-1 Chemaxon Polarizability 13.33 Å3 Chemaxon Number of Rings 1 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0il0-9800000000-603bae246370fd3011cf Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0900000000-869d01d73e979025183b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01ox-9700000000-6d6864ae619723ac991b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-bd38b9d5a91acf041b08 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-3313cf259bf7aeabb2f0 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9100000000-0237cf373da02179189f 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]- 130.6549768 predictedDarkChem Lite v0.1.0 [M-H]- 130.7975768 predictedDarkChem Lite v0.1.0 [M-H]- 124.08269 predictedDeepCCS 1.0 (2019) [M+H]+ 131.8931768 predictedDarkChem Lite v0.1.0 [M+H]+ 131.9169768 predictedDarkChem Lite v0.1.0 [M+H]+ 127.45593 predictedDeepCCS 1.0 (2019) [M+Na]+ 130.9283768 predictedDarkChem Lite v0.1.0 [M+Na]+ 130.9543768 predictedDarkChem Lite v0.1.0 [M+Na]+ 136.40218 predictedDeepCCS 1.0 (2019)
Drug created at July 26, 2022 18:19 / Updated at December 13, 2022 10:46