Physicochemical Properties
| Molecular Formula | C7H6NNAO4S |
| Molecular Weight | 223.1816 |
| Exact Mass | 241.002 |
| CAS # | 82385-42-0 |
| Related CAS # | Saccharin;81-07-2 |
| PubChem CID | 23675258 |
| Appearance | Typically exists as solid at room temperature |
| Boiling Point | 438.9ºC at 760 mmHg |
| Melting Point | >300°C |
| Flash Point | 219.3ºC |
| LogP | 1.185 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 13 |
| Complexity | 319 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | [Na].O=C1C2C(=CC=CC=2)S(=O)(=O)N1.O |
| InChi Key | AYGJDUHQRFKLBG-UHFFFAOYSA-M |
| InChi Code | InChI=1S/C7H5NO3S.Na.2H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1 |
| Chemical Name | sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one;dihydrate |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | Bacterial growth is inhibited by saccharin sodium hydrate (0.5, 2.5, and 5 mM) in vitro in a species-dependent way [1]. |
| ln Vivo | Male C57BL/6JRj wild-type (wt) mice's intestinal barrier is not considerably impacted by the oral administration of saccharin sodium hydrate (5 mg/kg; twice daily), which decreases the bacterial load in their feces and modifies the composition of their microbiome [1]. |
| References | [1]. Sünderhauf A, et al. Saccharin Supplementation Inhibits Bacterial Growth and Reduces Experimental Colitis in Mice. Nutrients. 2020 Apr 17;12(4). pii: E1122. |
| Additional Infomation |
Saccharin, sodium salt appears as odorless white crystals or crystalline powder. Aqueous solution is neutral or alkaline to litmus, but not alkaline to phenolphthalein. Effloresces in dry air. Intensely sweet taste. (NTP, 1992) Flavoring agent and non-nutritive sweetener. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL H2O : ~83.33 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (Infinity mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (Infinity mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (Infinity mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 100 mg/mL (Infinity mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4807 mL | 22.4034 mL | 44.8069 mL | |
| 5 mM | 0.8961 mL | 4.4807 mL | 8.9614 mL | |
| 10 mM | 0.4481 mL | 2.2403 mL | 4.4807 mL |