HuagongsheHuagongshe Chemistry Print Report · For research reference only
Fendosal
Fendozal · hp129 · CS-86 · alnovin · FENDOSAL · P 71-0129 · Fendosal, 10 mM in DMSO · 5-(4,5-dihydro-2-phenyl-3h-benz[e]indol-3-yl)salicylic acid
Identifiers & Physical Properties
| CAS No. | 53597-27-6 |
|---|---|
| Molecular formula | C25H19NO3 |
| Average molar mass | 381.4 g/mol |
| Monoisotopic mass | 381.13649347 g/mol |
| SMILES | O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O |
| InChIKey | HAWWPSYXSLJRBO-UHFFFAOYSA-N |
| PubChem CID | 40821 |
| ChEMBL | CHEMBL2106146 |
| ChEBI | CHEBI:135595 |
| DTXSID | DTXSID80201811 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 62.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 589 |
| Melting point | 223-225° (dec) |
| Boiling point | 508.82°C (rough estimate) |
| Density | 1.2182 (rough estimate) |
| Refractive index | 1.6000 (estimate) |
| pKa (acidity coefficient) | 2.40±0.10(Predicted) |
| CAS DataBase Reference | 53597-27-6(CAS DataBase Reference) |
| FDA UNII | 9Z709558TZ |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Toxicity | LD50 in mice, rats, rabbits (mg/kg): 740, 450, 560 orallyin mice (mg/kg): 510 i.p. (Lassman) |
Safety & Regulations
| Toxicity | LD50 in mice, rats, rabbits (mg/kg): 740, 450, 560 orallyin mice (mg/kg): 510 i.p. (Lassman) |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
Anti-inflammatory.