Pubchem ID | 135288668 |
---|---|
CAS | 84837-08-1 |
IUPAC name | 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropanamide |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CN1C=CC(=N1)CNC(=O)C(CC2=CC=CC=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl |
InCheykey | InChI=1S/C26H22Cl2N8O2/c1-34-10-9-19(32-34)14-29-26(38)23(11-17-5-3-2-4-6-17)35-16-30-21(13-25(35)37)20-12-18(27)7-8-22(20)36-15-24(28)31-33-36/h2-10,12-13,15-16,23H,11,14H2,1H3,(H,29,38) |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
549.416 | 1 | 6 | 8 | 110.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Moderate Absorption | Low Solubility | Binder | Undefined | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Non-Degradable |