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Paroxetine
PAXIL · PAROXETIN HCL · AROPAX · FG 7051 · BRL 29060 · AROPAX 20 · Paloxitene · PAROXETINE
Identifikatoren & physikalische Daten
| CAS No. | 110429-35-1 |
|---|---|
| Summenformel | C19H20FNO3 |
| Durchschnittliche Molmasse | 329,4 g/mol |
| Monoisotopische Masse | 329,14272172 g/mol |
| SMILES | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 |
| InChIKey | AHOUBRCZNHFOSL-YOEHRIQHSA-N |
| PubChem CID | 43815 |
| ChEMBL | CHEMBL1708 |
| ChEBI | CHEBI:7936 |
| EC No. | 682-717-4 |
| DTXSID | DTXSID3023425 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 402 |
| Stoffklassen | Pharmaceutical |
| Arzneimittel | DEA NFLIS-Drug Category -> AntidepressantsPharmaceuticals -> Used in SwitzerlandPharmaceuticals -> Nervous system -> PsychoanalepticsPharmaceuticals -> SSRIs (Selective Serotonin Reuptake Inhibitors)Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | log Kow = 1.233.64.07 |
| Löslichkeit | Odorless, off-white powder, mp 147-150 °C . Solubility in water: >1 g/mL/Paroxetine methanesulfonate/In water, 1,131 mg/L at 25 °C8.53e-03 g/L |
| Human Drugs | Antidepressants -> Selective serotonin reuptake inhibitors (SSRI)Breast FeedingLactationMilk, HumanAntidepressive AgentsSerotonin Uptake InhibitorsPharmaceuticals |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 451.7±45.0451.7±45.0 °C(Predicted) |
| Schmelzpunkt | 120-138Odorless off-white powdermolecular weight: 374.84melting point: 120-138 °C /Hydrochloride hemihydrate/129 - 131 °C114-116°C |
| Physical Description | Solid |
| Dissociation Constants | 9.519.90pKa1 = 9.6 /secondary amine/ |
| Collision Cross Section | 183.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: Antidepressants]183.2 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]180.32 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]183.61 Ų [M+H]+ |
| Other Experimental Properties | Crystalsmelting point: 129-131 °Csolubility in water: 5.4 mg/mL /Paroxetine hydrochloride hemihydrate/Crystals from ethanol-ethermelting point: 136-138 °CSpecific optical rotation for the D (sodium) line: -87 deg (c= 5 in ethanol) /paroxetine maleate/ |
| Dichte | 1.1844 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pKa 9.51 (Uncertain) |
| Farbe | Off-white to light yellow |
| CAS Datenbank | 61869-08-7(CAS DataBase Reference) |
| NIST chemische Informationen | Paroxetine(61869-08-7) |
| EPA chemische Informationen | Paroxetine (61869-08-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| FDA-Anforderungen | The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including paroxetine mesylate, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Paroxetine mesylate/The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including paroxetine hydrochloride, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Paroxetine hydrochloride/ |
| Toxic Combustion Products | Special hazards arising from the substance or mixture: Carbon oxides, nitrogen oxides (NOx), Hydrogen chloride gas, Hydrogen fluoride. /Paroxetine hydrochloride hemihydrate/ |
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| Hazardous Reactivities and Incompatibilities | Incompatible materials: Strong oxidizing agents. /Paroxetine hydrochloride hemihydrate/ |
| Brandbekämpfungsverfahren | Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. /Paroxetine hydrochloride hemihydrate/Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary. /Paroxetine hydrochloride hemihydrate/ |
| Lagerbedingungen | Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. /Paroxetine hydrochloride hemihydrate/Store tablets between 15 deg and 30 °C (59 deg and 86 °F). ... Store suspension at or below 25 °C (77 °F). |
| Reinigungsverfahren |
Anwendungen & Verwendung
Beschreibung
Paroxetine is a new highly selective serotonin reuptake inhibitor, mechanistically similar to fluoxetine, fluvoxamine and sertraline, introduced for the treatment of all types of depressive illnesses including depression associated with anxiety. It is reportedly non-sedating and non-stimulatory and compared to fluoxetine has a shorter duration of action (half-life of 24 hours versus 2 to 3 days). Paroxetine is also being investigated as a treatment for obesity, alcoholism and obsessive-compulsive disorders.
Verwenden
A istopically labelled selective serotonin reuptake inhibitor. Used as an antidepressant