| Pubchem ID | 78122658 |
|---|---|
| CAS | 6363-38-8 |
| IUPAC name | calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate;chloride |
| Synonyms | - |
| Categories | Nutrition enhancer |
| SMILES | CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Cl-].[Ca+2] |
| InCheykey | InChI=1S/C9H17NO5.Ca.ClH/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;1H/q;+2;/p-2 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 293.757 | 3 | 6 | 5 | 110.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low 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 | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |