HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Fluphenazin-O-enantat
moditen enanthate · fluphenazine O-enantate · Fluphenazine enantate CRS · FLUPHENAZINE ENANTHATE (LIQ) · Fluphenazine Decanoate Impurity 3 (Fluphenazine Decanoate EP Impurity C) · 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl heptanoate · 2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl heptanoate · enanthic acid 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 2746-81-8 |
|---|---|
| Summenformel | C29H38F3N3O2S |
| Durchschnittliche Molmasse | 549,7 g/mol |
| Monoisotopische Masse | 549,26368312 g/mol |
| SMILES | CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 |
| InChIKey | LRWSFOSWNAQHHW-UHFFFAOYSA-N |
| PubChem CID | 3389 |
| ChEMBL | CHEMBL1200951 |
| ChEBI | CHEBI:5125 |
| EC No. | 220-385-0 |
| DTXSID | DTXSID6023070 |
| Lokaler Name | Fluphenazin-O-enantat |
Chemische & physikalische Eigenschaften
| XLogP | 7,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 38 |
| Formalladung | 0 |
| Komplexität | 720 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | 184.5°C |
| Siedepunkt | 629.4±55.0 °C(Predicted) |
| Dichte | 1.1661 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Practically insoluble in water, very soluble in ethanol and in methylene chloride, freely soluble in methanol. |
| pKa (Säurekonstante) | 7.32±0.10(Predicted) |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChIKey | LRWSFOSWNAQHHW-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cc2c(cc1)Sc3c(cccc3)N2CCCN4CCN(CC4)CCOC(=O)CCCCCC |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 17 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Hazard Traits - BioaccumulationEnvironmental PersistenceHeptanoic acid, 2-4-3-2-(trifluoromethyl)-10H-phenothiazin-10-ylpropyl-1-piperazinylethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Heptanoic acid, 2-[4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 3249 |
| Gefahrenklasse | 6.1(b)Acute Tox. 3 OralRepr. 1A |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Antipsychotic.