Pubchem ID | 135337141 |
---|---|
CAS | 84603-73-6 |
IUPAC name | N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | C1CC2=C(C=CC(=C2C1NC(=O)C3=CC=NC=C3)F)C(=O)NC4=CC(=C(C=C4)F)Cl |
InCheykey | InChI=1S/C22H16ClF2N3O2/c23-16-11-13(1-4-17(16)24)27-22(30)15-2-5-18(25)20-14(15)3-6-19(20)28-21(29)12-7-9-26-10-8-12/h1-2,4-5,7-11,19H,3,6H2,(H,27,30)(H,28,29) |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
427.836 | 2 | 5 | 4 | 71.1 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | Medium | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |