| Pubchem ID | 24456 |
|---|---|
| CAS | 7758-87-4 |
| IUPAC name | tricalcium;diphosphate |
| Synonyms | Calcium phosphate|Synthos|Calcium phosphate tribasic|Tricalcium diphosphate|Calcium orthophosphate|Calcigenol simple|beta-TCP|Bonarka |
| Categories | Anticaking agent |
| SMILES | [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2] |
| InCheykey | InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6 |
| Natural | nan |
| E No. | E341 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 310.174 | 0 | 8 | 0 | 173.0 |
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 | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |