Pubchem ID | 13136 |
---|---|
CAS | 813-94-5 |
IUPAC name | tricalcium;2-hydroxypropane-1,2,3-tricarboxylate |
Synonyms | Tricalcium dicitrate|Acicontral|Citracal|Citrical|Tribasic calcium citrate|Calcium citrate, tribasic |
Categories | Firming agent |
SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2] |
InCheykey | InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6 |
Natural | nan |
E No. | E333 |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
498.432 | 2 | 14 | 4 | 281.0 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |