| Pubchem ID | 6076814 |
|---|---|
| CAS | 7704-73-6 |
| IUPAC name | sodium;(E)-4-hydroxy-4-oxobut-2-enoate |
| Synonyms | Sodium hydrogen fumarate|Monosodium fumarate|Sodium (E)-3-carboxyacrylate|Fumaric Acid Monosodium Salt |
| Categories | Nutrition enhancer |
| SMILES | C(=CC(=O)[O-])C(=O)O.[Na+] |
| InCheykey | InChI=1S/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1/b2-1+; |
| Natural | nan |
| E No. | E365 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 138.054 | 1 | 4 | 2 | 77.4 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Too Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |