| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:04:46 UTC |
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| Update date | 2025-11-18 22:26:17 UTC |
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| Primary ID | FDB000920 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Saccharin calcium |
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| Description | Saccharin, calcium salt, also known as saccharin sodium or calcium, saccharin, belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). Saccharin, calcium salt is an odorless tasting compound. Based on a literature review a significant number of articles have been published on Saccharin, calcium salt. |
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| CAS Number | 6485-34-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Saccharin calcium | MeSH | | Saccharin sodium | MeSH | | Saccharin | MeSH | | Calcium, saccharin | MeSH | | 1,1-Dioxide-1,2-benzisothiazol-3(2H)-one, calcium salt | biospider | | 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, calcium salt | biospider | | 1,2-Benzisothiazolin-3-one, 1,1-dioxide, calcium salt | biospider | | Calcium 2-benzosulphimide | biospider | | calcium bis(3-oxo-3H-1,2-benzisothiazol-2-ide 1,1-dioxide) | biospider | | Calcium o-benzosulphimide | biospider | | Calcium saccharin | biospider | | Calcium saccharina | biospider | | Calcium saccharinate | biospider | | Saccharin calcium anhydrous | biospider | | Saccharin calcium, USAN | db_source | | Saccharin, calcium | biospider | | Sulphobenzoic imide calcium salt | biospider |
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| Predicted Properties | |
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| Chemical Formula | C14H8CaN2O6S2 |
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| IUPAC name | calcium bis(1,1-dioxo-1λ⁶,2-benzothiazol-3-olate) |
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| InChI Identifier | InChI=1S/2C7H5NO3S.Ca/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);/q;;+2/p-2 |
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| InChI Key | LNMAXKMUGYXKPJ-UHFFFAOYSA-L |
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| Isomeric SMILES | [Ca++].[O-]C1=NS(=O)(=O)C2=CC=CC=C12.[O-]C1=NS(=O)(=O)C2=CC=CC=C12 |
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| Average Molecular Weight | 404.431 |
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| Monoisotopic Molecular Weight | 403.944968533 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzothiazoles |
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| Sub Class | Not Available |
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| Direct Parent | Benzothiazoles |
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| Alternative Parents | |
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| Substituents | - 1,2-benzothiazole
- Benzenoid
- Organic sulfonic acid or derivatives
- Organosulfonic acid or derivatives
- Organic calcium salt
- Azacycle
- Organic nitrogen compound
- Organic salt
- Organic zwitterion
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Aromatic heteropolycyclic compound
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | Not Available |
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| External Links |
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| ChemSpider ID | 56369 |
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| ChEMBL ID | CHEMBL2219732 |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 62610 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | BMT14-M:BMT16-O |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | rw1358891 |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | | Flavor | Citations |
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| odorless |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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