HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pranoprofen
2-(5H-Chromeno[2,3-b]pyridin-7-yl)propanoic acid · Niflan · Y 8004 · Cesflan · Oftalar · Pralofen · Praprofen · ranoprofen
Identifikatoren & physikalische Daten
| CAS No. | 52549-17-4 |
|---|---|
| Summenformel | C15H13NO3 |
| Durchschnittliche Molmasse | 255,27 g/mol |
| Monoisotopische Masse | 255,08954328 g/mol |
| SMILES | CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2 |
| InChIKey | TVQZAMVBTVNYLA-UHFFFAOYSA-N |
| PubChem CID | 4888 |
| ChEMBL | CHEMBL367463 |
| ChEBI | CHEBI:32040 |
| EC No. | 682-035-7 |
| DTXSID | DTXSID1023497 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 59,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 346 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 182-183° |
| Siedepunkt | 398.5°C (rough estimate) |
| Dichte | 1.1654 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 4.27±0.10(Predicted) |
| Aggregatzustand | powder |
| Farbe | white to beige |
| InChI | InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18) |
| InChIKey | TVQZAMVBTVNYLA-UHFFFAOYSA-N |
| SMILES | C(C1C=CC2OC3=NC=CC=C3CC=2C=1)(C)C(=O)O |
| CAS Datenbank | 52549-17-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)PranoprofenDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Wassergefährdungsklasse (WGK) | WGK 1 |
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| RTECS-Nr. | DJ3100950 |
| Toxizität | LD50 in male mice, rats (mg/kg): 447.3, 87.3 orally (Edanaga) |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 Oral |
Anwendungen & Verwendung
Verwenden
Pranoprofen is an anti-inflammatory used in ophthalmology.