| Pubchem ID | 48413706 |
|---|---|
| CAS | 9004-59-5 |
| IUPAC name | 4-(dimethylamino)-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide |
| Synonyms | - |
| Categories | Emulsifier |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)NC(CN2CCOCC2)C3=CC=C(C=C3)OC |
| InCheykey | InChI=1S/C22H29N3O3/c1-24(2)19-8-4-18(5-9-19)22(26)23-21(16-25-12-14-28-15-13-25)17-6-10-20(27-3)11-7-17/h4-11,21H,12-16H2,1-3H3,(H,23,26) |
| Natural | nan |
| E No. | E465 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 383.492 | 1 | 5 | 7 | 54.0 |
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 | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |