Pubchem ID | 135309999 |
---|---|
CAS | 9000-04-8 |
IUPAC name | N-(4-cyano-2,5-dimethylpyrazol-3-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CC1=NN(C(=C1C#N)S(=O)(=O)NC(=O)C2CCC3=C2C=CC=C3OC)C |
InCheykey | InChI=1S/C17H18N4O4S/c1-10-14(9-18)17(21(2)19-10)26(23,24)20-16(22)13-8-7-12-11(13)5-4-6-15(12)25-3/h4-6,13H,7-8H2,1-3H3,(H,20,22) |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
374.415 | 1 | 6 | 4 | 123.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | 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 | Irritant | Irritant | Non-Degradable |