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Dihydro-FK-506
Tacrolimus EP Impurity E · 0SDH06DWVW · Dihydro-FK506 · TsukubaMycin B · Dihydro-FK506 19-epimer · Dihydro-FK506 DIHYDRO-FK506 · TacroliMus 8-Propyl Analog (USP) · TACROLIMUS 8-PROPYL ANALOG IMPURITY
Identifikatoren & physikalische Daten
| CAS No. | 104987-30-6 |
|---|---|
| Summenformel | C44H71NO12 |
| Durchschnittliche Molmasse | 806 g/mol |
| Monoisotopische Masse | 805,4976267 g/mol |
| SMILES | CCC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC |
| InChIKey | RQYGKZGKXDOUEO-LFZNUXCKSA-N |
| PubChem CID | 13819087 |
| ChEMBL | CHEMBL347139 |
| EC No. | 806-466-9 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 178 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 57 |
| Formalladung | 0 |
| Komplexität | 1.450 |
| Siedepunkt | 875.5±75.0 °C(Predicted) |
| Dichte | 1.18±0.1 g/cm3(Predicted) |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.97±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Yellow |
| Hauptanwendungen | pharmaceutical |
| InChIKey | RQYGKZGKXDOUEO-RERMZSSANA-N |
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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2934990002 |
| Lagerklasse | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 Oral |
Anwendungen & Verwendung
Verwenden
A novel analog of FK-506 (F370000) macrocycle.