HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)-
Q27276055 · D3TG17VNO3 · UNII-D3TG17VNO3 · tacrolimus - methacrolein · Tacrolimus Impurity 13 HCl · Tacrolmius methylacryl Aldehyde · TacroliMus Methyl Acryl Aldehyde · Methoxycyclohexanol methacrylic aldehyde
Identifikatoren & physikalische Daten
| CAS No. | 109466-74-2 |
|---|---|
| Summenformel | C11H18O3 |
| Durchschnittliche Molmasse | 198,26 g/mol |
| Monoisotopische Masse | 198,12559443 g/mol |
| SMILES | CO[C@@H]1C[C@H](/C=C(\C)C=O)CC[C@H]1O |
| InChIKey | ZTXGCGOIEHBZMQ-OJHBQYHASA-N |
| PubChem CID | 13819084 |
| EC No. | 806-465-3 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 223 |
| Schmelzpunkt | 68-71°C |
| Siedepunkt | 322.1±42.0 °C(Predicted) |
| Dichte | 1.05±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Amber Vial, -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 14.46±0.60(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Stabilität | Light Sensitive |
| Hauptanwendungen | pharmaceutical small molecule |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+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 | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1A |
Anwendungen & Verwendung
Verwenden
Tacrolimus Methyl Acryl Aldehyde is the degradation product of Tacrolimus (F370000), a novel macrocyclic lactone isolated from Streptomyces tsukubaensis, having immunosuppressant activity.