Pubchem ID | 44134940 |
---|---|
CAS | 6381-91-5 |
IUPAC name | calcium;1,1-dioxo-1,2-benzothiazol-2-id-3-one;hydrate |
Synonyms | Calcium saccharin|Saccharin hemicalcium salt |
Categories | Sweetener |
SMILES | C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.O.[Ca+2] |
InCheykey | InChI=1S/2C7H5NO3S.Ca.H2O/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h2*1-4H,(H,8,9);;1H2/q;;+2;/p-2 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
422.439 | 1 | 9 | 0 | 122.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Binder | Low | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |