| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:52:00 UTC |
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| Update Date | 2016-11-09 01:09:22 UTC |
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| Accession Number | CHEM004570 |
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| Identification |
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| Common Name | ACESULFAME POTASSIUM |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - EAFUS Chemicals
- FooDB Chemicals
- HPV EPA Chemicals
- ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Potassium 6-methyl-2,2-dioxo-1,2,3-oxathiazin-4-olic acid | Generator | | e950 | ChEMBL | | Acesulfame sodium | MeSH | | Acesulfame potassium | MeSH | | Acetosulfam, potassium salt | MeSH | | Acetosulfame calcium | MeSH | | Acetosulfam potassium | MeSH | | Acetosulfam, sodium salt | MeSH | | Acesulfame K | MeSH | | Acesulfam-K | MeSH | | Acesulfame calcium | MeSH | | Acetosulfam | MeSH | | Acetosulfame | MeSH | | Potassium 6-methyl-2,2-dioxo-1,2λ⁶,3-oxathiazin-4-olic acid | Generator |
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| Chemical Formula | C4H4KNO4S |
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| Average Molecular Mass | 201.240 g/mol |
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| Monoisotopic Mass | 200.950 g/mol |
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| CAS Registry Number | 55589-62-3 |
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| IUPAC Name | potassium 6-methyl-2,2-dioxo-1,2λ⁶,3-oxathiazin-4-olate |
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| Traditional Name | potassium 6-methyl-2,2-dioxo-1,2λ⁶,3-oxathiazin-4-olate |
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| SMILES | [K+].CC1=CC([O-])=NS(=O)(=O)O1 |
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| InChI Identifier | InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1 |
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| InChI Key | WBZFUFAFFUEMEI-UHFFFAOYSA-M |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic sulfuric acids and derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Organic sulfuric acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Organic sulfuric acid or derivatives
- Carboxylic acid derivative
- Carbene-type 1,3-dipolar compound
- Organic 1,3-dipolar compound
- Organoheterocyclic compound
- Organic alkali metal salt
- Azacycle
- Oxacycle
- Organic potassium salt
- Organic nitrogen compound
- Organic salt
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0zfr-4790000000-6f4d04fc04e583ebddc9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00or-9300000000-ab27f83baf0dce7aa3c0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-9200000000-2f4eea0153fb27c6ebf0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0900000000-a9b3b9fe54ef65fbd2a6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-1900000000-e5537f7f5cdcb8dd3c43 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00os-9400000000-f22327427f6287a9f75e | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 62104 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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