| Pubchem ID | 135340536 |
|---|---|
| CAS | 8024-15-5 |
| IUPAC name | [(1'S,3R,4'R,6'S,7'Z,14'S)-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]-(2-methylpropyl)c arbamic acid |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(C)CN(C1CCCCCC=CC2CC2(NC(=O)C3CC4(CCC5=C(O4)C=NC6=CC=CC=C56)CN3C1=O)C(=O)NS(=O)(=O)C7(CC7)C)C(=O)O |
| InCheykey | InChI=1S/C38H49N5O8S/c1-24(2)22-42(35(47)48)29-14-8-6-4-5-7-11-25-19-38(25,34(46)41-52(49,50)36(3)17-18-36)40-32(44)30-20-37(23-43(30)33(29)45)16-15-27-26-12-9-10-13-28(26)39-21-31(27)51-37/h7,9-13,21 ,24-25,29-30H,4-6,8,14-20,22-23H2,1-3H3,(H,40,44)(H,41,46)(H,47,48)/b11-7-/t25-,29+,30+,37-,38-/m1/s1 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 735.897 | 3 | 9 | 6 | 184.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low Absorption | Low Solubility | Weaker / Non binder | Undefined | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| 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 |