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Bendazac
[[1-(phenylmethyl)-1h-indazol-3-yl]oxy]acetic acid · Versus · AF 983 · Zildasac · BENDAZAC · Bindazac · Dogalina · Zildazac
Identifikatoren & physikalische Daten
| CAS No. | 20187-55-7 |
|---|---|
| Summenformel | C16H14N2O3 |
| Durchschnittliche Molmasse | 282,29 g/mol |
| Monoisotopische Masse | 282,10044231 g/mol |
| SMILES | O=C(O)COc1nn(Cc2ccccc2)c2ccccc12 |
| InChIKey | BYFMCKSPFYVMOU-UHFFFAOYSA-N |
| PubChem CID | 2313 |
| ChEMBL | CHEMBL1089221 |
| ChEBI | CHEBI:31257 |
| EC No. | 243-569-2 |
| DTXSID | DTXSID1048334 |
| Lokaler Name | Bendazac |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 357 |
| Schmelzpunkt | 161-163°C |
| Siedepunkt | 424.91°C (rough estimate) |
| Dichte | 1.1658 (rough estimate) |
| Brechungsindex | 1.6240 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.89±0.10(Predicted) |
| Farbe | Crystals from ethanol |
| Merck | 14,1035 |
| InChI | InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20) |
| InChIKey | BYFMCKSPFYVMOU-UHFFFAOYSA-N |
| SMILES | C(O)(=O)COC1C2=C(N(CC3=CC=CC=C3)N=1)C=CC=C2 |
| CAS Datenbank | 20187-55-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)BendazacvMost-DILI-concern8WithdrawnDOI:10.1016/j.drudis.2016.02.015 |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2933998090 |
| RTECS-Nr. | AF5085000 |
| Toxizität | LD50 in mice, rats (mg/kg): 380, 304 i.v.355, 388 i.p.440, 910 s.c.1105, ~1200 orally (Rx Bulletin) |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Bendazac is a non-steroidal anti-inflammatory drug (NSAID). Bendazac is often used for joint and muscular pain. Bendazac has potential as an anti-denaturant drug for cataract and other condensation di seases as it protects proteins from denaturation induced by different agents.