HuagongsheHuagongshe Chemistry Print Report · For research reference only
Amfenac
SOYCMDCMZDHQFP-UHFFFAOYSA-N · Nepafenac Impurity 5(Amfenac) · 2-Amino-3-benzoylbenzeneacetic acid · Benzeneacetic acid, 2-amino-3-benzoyl- · Amfenac D5Q: What is Amfenac D5 Q: What is the CAS Number of Amfenac D5 Q: What is the storage condition of Amfenac D5 Q: What are the applications of Amfenac D5
Identifiers & Physical Properties
| CAS No. | 51579-82-9 |
|---|---|
| Molecular formula | C15H13NO3 |
| Average molar mass | 255.27 g/mol |
| Monoisotopic mass | 255.08954328 g/mol |
| SMILES | Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1 |
| InChIKey | SOYCMDCMZDHQFP-UHFFFAOYSA-N |
| PubChem CID | 2136 |
| ChEMBL | CHEMBL25146 |
| ChEBI | CHEBI:75915 |
| DTXSID | DTXSID90199533 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 80.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 336 |
| Melting point | 121-123° (dec) |
| Boiling point | 398.5°C (rough estimate) |
| Density | 1.1654 (rough estimate) |
| Refractive index | 1.5500 (estimate) |
| FDA UNII | 28O5C1J38A |
| Toxicity | LD50 in mice, rats (mg/kg): 615, 311 orally (Sancilio) |
Safety & Regulations
| Toxicity | LD50 in mice, rats (mg/kg): 615, 311 orally (Sancilio) |
|---|
Applications & Uses
Uses
Anti-inflammatory.