HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ketanserin
Ket · RHS · Ketanserine · OFC8 · EEC3 · p73H · p73L · p53CP
Identifikatoren & physikalische Daten
| CAS No. | 74050-98-9 |
|---|---|
| Summenformel | C22H22FN3O3 |
| Durchschnittliche Molmasse | 395,4 g/mol |
| Monoisotopische Masse | 395,16451978 g/mol |
| SMILES | O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 |
| InChIKey | FPCCSQOGAWCVBH-UHFFFAOYSA-N |
| PubChem CID | 3822 |
| ChEMBL | CHEMBL1628637 |
| ChEBI | CHEBI:6123 |
| EC No. | 277-680-2 |
| DTXSID | DTXSID3023188 |
| Lokaler Name | Ketanserin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 627 |
| Arzneimittel | Pharmaceuticals -> Cardiovascular system -> AntihypertensivesPharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 2.9 |
| Collision Cross Section | 191.99 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 227-235°C |
| Dichte | 1.280±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | DMF: 10 mg/mL, clear, colorless |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.5(at 25℃) |
| Farbe | White to Off-White |
| Biologische Quelle | human |
| Merck | 14,5296 |
| CAS Datenbank | 74050-98-9(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 36 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 2,4(1H,3H)-Quinazolinedione, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| RTECS-Nr. | VA1411190 |
Anwendungen & Verwendung
Beschreibung
Ketanserin is an antihypertensive agent with antagonist properties at both the serotonin-S2 and α1-adrenergic receptors. Its mechanism of action, while still controversial, may involve interactions at both of these loci.
Verwenden
An antihypertensive, with affinity for multiple GPCR receptors.