| Pubchem ID | 135357436 |
|---|---|
| CAS | 8021-77-0 |
| IUPAC name | (1Z)-1-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-oxoimidazo[1,2-a]pyridin-4-ium-2-ylidene]-2-methoxyethanolate |
| Synonyms | - |
| Categories | Masticatory substance |
| SMILES | COCC(=C1C(=O)[N+]2=CC=CC=C2N1CC3=CN=C(S3)Cl)[O-] |
| InCheykey | InChI=1S/C14H12ClN3O3S/c1-21-8-10(19)12-13(20)17-5-3-2-4-11(17)18(12)7-9-6-16-14(15)22-9/h2-6H,7-8H2,1H3 |
| 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 |
|---|---|---|---|---|
| 337.778 | 0 | 6 | 4 | 97.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |