HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Fenoverin
FENOVERINE · Spasmopriv · Fenoverine D8 · 3-chloro-3-oxopropanoic acid ethyl ester · 10-[(4-Piperonyl-1-piperazinyl)acetyl]-10H-phenothiazine · Ethanone, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(10H-phenothiazin-10-yl)-
Identifikatoren & physikalische Daten
| CAS No. | 37561-27-6 |
|---|---|
| Summenformel | C26H25N3O3S |
| Durchschnittliche Molmasse | 459,6 g/mol |
| Monoisotopische Masse | 459,16166284 g/mol |
| SMILES | O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21 |
| InChIKey | UBAJTZKNDCEGKL-UHFFFAOYSA-N |
| PubChem CID | 72098 |
| ChEMBL | CHEMBL1512949 |
| ChEBI | CHEBI:135744 |
| EC No. | 253-552-1 |
| DTXSID | DTXSID8046296 |
| Lokaler Name | Fenoverin |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 33 |
| Formalladung | 0 |
| Komplexität | 666 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 141-142° |
| Siedepunkt | 671.8±55.0 °C(Predicted) |
| Dichte | 1.343±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 6.47±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Beige to Beige |
| Stabilität | Hygroscopic |
Sicherheit & Vorschriften
| Toxizität | LD50 in mice (g/kg): ~1.50 orally, ~2.50 i.p. (Buzas, Pierre) |
|---|
Anwendungen & Verwendung
Verwenden
Fenoverine is a colon-specific multi particulate drug. Also, it is an antispasmodic drug which inhibits contraction of smooth muscle. It is derived from Phenothiazine (P318040), which is a key component of antipsychotic and antihistaminic drugs.