| Pubchem ID | 68482 |
|---|---|
| CAS | 579-93-1 |
| IUPAC name | 2-benzamidobenzoic acid |
| Synonyms | 2-(Benzoylamino)benzoic acid|2-benzamidobenzoic acid|N-Benzoylanthranilic acid|dianthramid B|2-Benzoylamino-benzoic acid|Benzoic acid, 2-(benzoylamino)-|2'-Carboxybenzanilide |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O |
| InCheykey | InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18) |
| Natural | nan |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 241.246 | 2 | 3 | 3 | 66.4 |
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 | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |