HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Gemfibrozil 1-O-acylglucuronide
Gemfibrozil-d6 Glucuronide · Gemfibrozil 1-O--Glucuronide-d6 · Gemfibrozil 1-O-β-Glucuronide-d6 · Gemfibrozil 1-O-Beta-Glucuronide-d6 · [2H6]-Gemfibrozil 1-O-β-Glucuronide · 1-[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoate] -D-Glucopyranuroic Acid-d6
Identifikatoren & physikalische Daten
| CAS No. | 1703747-47-0 |
|---|---|
| Summenformel | C21H30O9 |
| Durchschnittliche Molmasse | 426,5 g/mol |
| SMILES | Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1 |
| InChIKey | CJMNXSKEVNPQOK-LVEJAMMSSA-N |
| ChEMBL | CHEMBL2181817 |
| EC No. | 823-205-4 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 143 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 593 |
| Schmelzpunkt | 74-79°C |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | Ethyl Acetate, Methanol |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Yellow |
| Stabilität | Hygroscopic |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
Anwendungen & Verwendung
Verwenden
The major labeled metabolite of Gemfibrozil