| Pubchem ID | 135280026 |
|---|---|
| CAS | 8001-88-5 |
| IUPAC name | N-[3-[2-acetamido-3-[3-(prop-2-enoylamino)propoxy]-2-[3-(prop-2-enoylamino)propoxymethyl]propoxy]propyl]prop-2-enamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(=O)NC(COCCCNC(=O)C=C)(COCCCNC(=O)C=C)COCCCNC(=O)C=C |
| InCheykey | InChI=1S/C24H40N4O7/c1-5-21(30)25-11-8-14-33-17-24(28-20(4)29,18-34-15-9-12-26-22(31)6-2)19-35-16-10-13-27-23(32)7-3/h5-7H,1-3,8-19H2,4H3,(H,25,30)(H,26,31)(H,27,32)(H,28,29) |
| 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 |
|---|---|---|---|---|
| 496.605 | 4 | 7 | 22 | 144.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| 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 | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |