Pubchem ID | 135311392 |
---|---|
CAS | 8016-63-5 |
IUPAC name | (4R)-8-cyclobutyl-5-methoxy-2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-3,4-dihydrochromene-4-carboxamide |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CC1(CC(C2=C(C=CC(=C2O1)C3CCC3)OC)C(=O)NS(=O)(=O)C4=CC=CC5=C4CCCN5)C |
InCheykey | InChI=1S/C26H32N2O5S/c1-26(2)15-19(23-21(32-3)13-12-17(24(23)33-26)16-7-4-8-16)25(29)28-34(30,31)22-11-5-10-20-18(22)9-6-14-27-20/h5,10-13,16,19,27H,4,6-9,14-15H2,1-3H3,(H,28,29)/t19-/m1/s1 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
484.611 | 2 | 6 | 5 | 102.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Very 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 | Irritant | Irritant | Non-Degradable |