| Pubchem ID | 1548943 |
|---|---|
| CAS | 404-86-4 |
| IUPAC name | (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
| Synonyms | Qutenza|Styptysat|Axsain|Isodecenoic acid vanillylamide |
| Categories | Flavor enhancer |
| SMILES | CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| InCheykey | InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+ |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 305.418 | 2 | 3 | 9 | 58.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Mutagen | Irritant | Non-Irritant | Irritant | Degradable |