| Pubchem ID | 135309761 |
|---|---|
| CAS | 8001-76-1 |
| IUPAC name | 8-methoxy-5-(2-methylpropyl)-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(C)CC1=C2CCCC(C2=C(C=C1)OC)C(=O)NS(=O)(=O)C3=CC=CC4=CC=CC=C43 |
| InCheykey | InChI=1S/C26H29NO4S/c1-17(2)16-19-14-15-23(31-3)25-21(19)11-7-12-22(25)26(28)27-32(29,30)24-13-6-9-18-8-4-5-10-20(18)24/h4-6,8-10,13-15,17,22H,7,11-12,16H2,1-3H3,(H,27,28) |
| 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 |
|---|---|---|---|---|
| 451.581 | 1 | 4 | 6 | 80.8 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Very Low Solubility | 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 | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |