Pubchem ID | 135356757 |
---|---|
CAS | 8006-40-4 |
IUPAC name | 1-[4-[7-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-3-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CC1=C(SC(=N1)C)CNC2=CC(=NC3=C(C(=NN23)C)C4=CC(=C(C=C4)OC)S(=O)(=O)C)N5CCN(CC5)C(=O)C |
InCheykey | InChI=1S/C27H33N7O4S2/c1-16-22(39-18(3)29-16)15-28-24-14-25(33-11-9-32(10-12-33)19(4)35)30-27-26(17(2)31-34(24)27)20-7-8-21(38-5)23(13-20)40(6,36)37/h7-8,13-14,28H,9-12,15H2,1-6H3 |
Natural | nan |
E No. | E901 |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
583.726 | 1 | 10 | 7 | 159.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good 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 | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |