HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Norfluoxetine
NORFLUOXETINE HCL · Furfural Impurity 6 · N-desmethylfluoxetine · Norfluoxetine hydrochloride · Benzenepropanamine, γ-[4-(trifluoromethyl)phenoxy]- · Benzenepropanamine, g-[4-(trifluoromethyl)phenoxy]- · Fluoxetine Impurity 8 Monomer(Fluoxetine EP Impurity H) · 3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE HYDROCHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 83891-03-6 |
|---|---|
| Summenformel | C16H16F3NO |
| Durchschnittliche Molmasse | 295,3 g/mol |
| Monoisotopische Masse | 295,11839862 g/mol |
| SMILES | NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 |
| InChIKey | WIQRCHMSJFFONW-UHFFFAOYSA-N |
| PubChem CID | 4541 |
| ChEMBL | CHEMBL1494 |
| ChEBI | CHEBI:180876 |
| EC No. | 689-778-6 |
| DTXSID | DTXSID80866540 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 294 |
| Stoffklassen | Pharmaceutical |
| Arzneimittel | Pharmaceuticals -> Metabolite of Fluoxetine |
| Human Drugs | Antidepressants -> Selective serotonin reuptake inhibitors (SSRI)Pharmaceuticals |
| Collision Cross Section | 173.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: Antidepressants]159.71 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 105-108°C |
| Siedepunkt | 381.1±42.0 °C(Predicted) |
| Dichte | 1.204±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | H2O: >4 mg/mL |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 9.05±0.13(Predicted) |
| Farbe | yellow |
| InChI | InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2 |
| InChIKey | WIQRCHMSJFFONW-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1)(CCN)OC1C=CC(=CC=1)C(F)(F)F |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Hazard Classes and Categories | Not Classified |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | NorfluoxetinePharmaceuticalSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| Wassergefährdungsklasse (WGK) | 3 |
Anwendungen & Verwendung
Verwenden
A metabolite of Fluoxetine, a selective serotonin reuptake inhibitor which is used as an antidepressant.