Pubchem ID | 135274122 |
---|---|
CAS | 8007-48-5 |
IUPAC name | 2-[3-[2,4,6-trimethyl-3-(2-methylbutanoylamino)phenyl]imino-6-[2,4,6-trimethyl-3-(4-methylpentanoylamino)anilino]xanthen-9-yl]benzenesulfonic acid |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CCC(C)C(=O)NC1=C(C=C(C(=C1C)N=C2C=CC3=C(C4=C(C=C(C=C4)NC5=C(C(=C(C=C5C)C)NC(=O)CCC(C)C)C)OC3=C2)C6=CC=CC=C6S(=O)(=O)O)C)C |
InCheykey | InChI=1S/C48H54N4O6S/c1-11-27(4)48(54)52-47-31(8)23-29(6)45(33(47)10)50-35-18-20-37-40(25-35)58-39-24-34(17-19-36(39)43(37)38-14-12-13-15-41(38)59(55,56)57)49-44-28(5)22-30(7)46(32(44)9)51-42(53)21-16 -26(2)3/h12-15,17-20,22-27,49H,11,16,21H2,1-10H3,(H,51,53)(H,52,54)(H,55,56,57) |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
815.042 | 4 | 8 | 12 | 155.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Very Low Absorption | Extremely 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 |