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Eletriptan
Relpax · Relpax free aMine · UK-116044 · ELETRIPTAN · (R)-Eletriptan · Unii-22qoo9B8ki · Eletriptan Free Base · Eletriptan USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 143322-58-1 |
|---|---|
| Summenformel | C22H26N2O2S |
| Durchschnittliche Molmasse | 382,5 g/mol |
| Monoisotopische Masse | 382,17149907 g/mol |
| SMILES | CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 |
| InChIKey | PWVXXGRKLHYWKM-LJQANCHMSA-N |
| PubChem CID | 77993 |
| ChEMBL | CHEMBL1510 |
| ChEBI | CHEBI:50922 |
| EC No. | 640-088-3 |
| DTXSID | DTXSID9046861 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 582 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 3.9 |
| Löslichkeit | Readily soluble as hydrobromide formulation1.18e-03 g/LDMSO (Slightly), Methanol (Slightly) |
| Human Drugs | Breast FeedingLactationMilk, HumanSerotonin Receptor AgonistsSerotonin 5-HT1 Receptor AgonistsTriptansVasoconstrictor AgentsPharmaceuticals |
| Physical Description | Solid |
| Collision Cross Section | 189.45 Ų [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]186.1 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Schmelzpunkt | 168-170C |
| Siedepunkt | 613.4±55.0 °C(Predicted) |
| Dichte | 1.235±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 17.14±0.30(Predicted) |
| Farbe | Pale Yellow to Dark Yellow |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1 |
| InChIKey | PWVXXGRKLHYWKM-LJQANCHMSA-N |
| SMILES | N1C2=C(C=C(CCS(C3=CC=CC=C3)(=O)=O)C=C2)C(C[C@H]2CCCN2C)=C1 |
| CAS Datenbank | 143322-58-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 29 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Unerwünschte Wirkungen | Adverse events reported from eletriptan use are mostly mild, moderate, and transient. Although eletriptan is associated with nausea, dizziness, drowsiness, and coronary vasoconstriction, the most common adverse effects include a group of sensations referred to as "triptan sensations," including paresthesia, flushing, tingling, chest tightness, and neck pain. Additional effects, such as palpitations, headaches, chills, pain, hypertonia, hypoesthesia, diaphoresis, abdominal pain, including cramps, discomfort, and pressure, xerostomia, dysphagia, dyspepsia, pharyngitis, back pain, and generalized weakness, have been reported, albeit at a much lower incidence ranging from 1% to 7%. |
| Toxizitätsübersicht | Signs and Symptoms of Overdose |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)eletriptanDILI NegativeOralDOI:10.1016/j.drudis.2019.09.022 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Eletriptan is a selective serotonin 5-HT1B and 5-HT1D receptor agonist and used to treat migraines (1,2,3).