HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Veliflapon
VELIFLAPON · DG 031 · BAY 1005 · Velifapon · BAY-X 1005 · BAY-X-1005 >=98% (HPLC) · ZEYYDOLCHFETHQ-JOCHJYFZSA-N · 2-(4-(quinolin-2-yl-methoxy)phenyl)-2-cyclopentylacetic acid
Identifikatoren & physikalische Daten
| CAS No. | 128253-31-6 |
|---|---|
| Summenformel | C23H23NO3 |
| Durchschnittliche Molmasse | 361,4 g/mol |
| Monoisotopische Masse | 361,1677936 g/mol |
| SMILES | O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1 |
| InChIKey | ZEYYDOLCHFETHQ-JOCHJYFZSA-N |
| PubChem CID | 123723 |
| ChEMBL | CHEMBL88712 |
| EC No. | 802-979-7 |
| DTXSID | DTXSID60155843 |
Chemische & physikalische Eigenschaften
| XLogP | 5,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 59,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 482 |
| Schmelzpunkt | 169-171 °C |
| Siedepunkt | 555.4±40.0 °C(Predicted) |
| Dichte | 1.242±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: soluble5mg/mL (clear solution) |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 4.47±0.10(Predicted) |
| Farbe | white to beige |
| InChI | 1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1 |
| InChIKey | ZEYYDOLCHFETHQ-JOCHJYFZSA-N |
| SMILES | OC(=O)[C@H](C1CCCC1)c2ccc(OCc3ccc4ccccc4n3)cc2 |
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Prevention of acute cardiovascular events.