HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Toloxaton
Humoryl · 69276MD · Perenum · MD-69276 · Toloxatone · Taloxotone · Delalande 69276 · Toloxatone USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 29218-27-7 |
|---|---|
| Summenformel | C11H13NO3 |
| Durchschnittliche Molmasse | 207,23 g/mol |
| Monoisotopische Masse | 207,08954328 g/mol |
| SMILES | Cc1cccc(N2CC(CO)OC2=O)c1 |
| InChIKey | MXUNKHLAEDCYJL-UHFFFAOYSA-N |
| PubChem CID | 34521 |
| ChEMBL | CHEMBL18116 |
| ChEBI | CHEBI:156575 |
| EC No. | 249-522-2 |
| DTXSID | DTXSID40865478 |
| Lokaler Name | Toloxaton |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 244 |
| Schmelzpunkt | 76° |
| Siedepunkt | 358.9±21.0 °C(Predicted) |
| Dichte | 1.245±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | DMSO: >10mg/mL |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 14.05±0.10(Predicted) |
| Farbe | White to off-white |
| InChI | 1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3 |
| InChIKey | MXUNKHLAEDCYJL-UHFFFAOYSA-N |
| SMILES | Cc1cccc(c1)N2CC(CO)OC2=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3249 |
| RTECS-Nr. | RQ2867500 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 orally in mice (mg/kg): 1850 (Fauran)also reported as 1500 (Raynaud) |
| Gefahrensymbole | Xn |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Toloxatone is a selective, reversible and competitive inhibitor of type A monoamine oxidase (MAO-A) which shows clinical utility as an antidepressant. It is reportedly free of the "cheese effect" in man, possibly due to the reversible nature of its inhibitory effect on intestinal MAO-A in the presence of high concentrations of tyramine.
Verwenden
Toloxatone is a monoamine oxidase-A (MAO-A) inhibitor.