TALC
Relevant Data
Food Additives Approved by WHO:
Food Additives Approved by European Union:
General Information
| Mainterm | TALC |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 14807-96-6 |
| Regnum |
175.300 176.170 175.380 175.390 177.1210 178.3297 177.1350 177.1460 182.90 182.70 73.1550 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 16211421 |
| IUPAC Name | dioxosilane;oxomagnesium;hydrate |
| InChI | InChI=1S/3Mg.4O2Si.H2O.3O/c;;;4*1-3-2;;;;/h;;;;;;;1H2;;; |
| InChI Key | FPAFDBFIGPHWGO-UHFFFAOYSA-N |
| Canonical SMILES | O.O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O |
| Molecular Formula | Mg3(OH)2Si4O10 |
| Wikipedia | talc |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 379.259 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 0 |
| Complexity | 20.3 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A P A w A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A C k A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 189.0 |
| Monoisotopic Mass | 377.817 |
| Exact Mass | 377.817 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 8 |
From Pubchem
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9480 |
| Human Intestinal Absorption | HIA+ | 0.7347 |
| Caco-2 Permeability | Caco2- | 0.5861 |
| P-glycoprotein Substrate | Non-substrate | 0.8628 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9698 |
| Non-inhibitor | 0.9938 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9521 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.6588 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8223 |
| CYP450 2D6 Substrate | Non-substrate | 0.8767 |
| CYP450 3A4 Substrate | Non-substrate | 0.7742 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8969 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9022 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9284 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9200 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9801 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9857 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9243 |
| Non-inhibitor | 0.9772 | |
| AMES Toxicity | Non AMES toxic | 0.6890 |
| Carcinogens | Carcinogens | 0.6083 |
| Fish Toxicity | Low FHMT | 0.8709 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.8341 |
| Honey Bee Toxicity | High HBT | 0.7207 |
| Biodegradation | Ready biodegradable | 0.8448 |
| Acute Oral Toxicity | III | 0.4294 |
| Carcinogenicity (Three-class) | Non-required | 0.6246 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -0.4064 | LogS |
| Caco-2 Permeability | 0.4232 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.1635 | LD50, mol/kg |
| Fish Toxicity | 1.3765 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.6803 | pIGC50, ug/L |
From admetSAR