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HCID 3823Erstellt: 26. Oktober 2026
1-(4-(4-((2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethanone
Nsc317629 · 1-[4-[4-[[2-(2 · (Rac)-Ketoconazole · 4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1 · 3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone · 1-ACETYL-4-[4-[[2-(2, 4-DICHLOROPHENYL) -2-(1H- IMIDAZOL-1-YLMETHYL)-1, 3-DIOXOL · 1-acetyl-4-[4-[[(2RS,4RS)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methox · 1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
https://huagongshe.com/de/chemical/3823
Identifikatoren & physikalische Daten
| CAS No. | 65277-42-1 |
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| Summenformel | C26H28Cl2N4O4 |
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| Durchschnittliche Molmasse | 531,4 g/mol |
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| Monoisotopische Masse | 530,1487608 g/mol |
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| SMILES | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 |
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| InChIKey | XMAYWYJOQHXEEK-UHFFFAOYSA-N |
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| PubChem CID | 3823 |
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| ChEMBL | CHEMBL157101 |
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| ChEBI | CHEBI:48339 |
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| DTXSID | DTXSID20273956 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
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| Polarare Oberfläche (TPSA) | 69,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 36 |
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| Formalladung | 0 |
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| Komplexität | 735 |
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| Arzneimittel | Pharmaceuticals |
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| LogP (Verteilungskoeffizient) | 3.7 |
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| Siedepunkt | 753.4±60.0 °C(Predicted) |
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| Dichte | 1.38 |
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| pKa (Säurekonstante) | 6.88±0.12(Predicted) |
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Sicherheit & Vorschriften
| Treatment | In the event of accidental overdosage, supportive measures, including gastric lavage with sodium bicarbonate, should be employed. (L1712) |
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| Gesundheitliche Auswirkungen | Ketoconazole can cause liver problems. (L1536) |
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| Expositionspfade | Oral (L1908)topical (L1908) |
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| Toxizitätsübersicht | Ketoconazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary for the conversion of lanosterol to ergosterol. This results in inhibition of ergosterol synthesis and increased fungal cellular permeability. Other mechanisms may involve the inhibition of endogenous respiration, interaction with membrane phospholipids, inhibition of yeast transformation to mycelial forms, inhibition of purine uptake, and impairment of triglyceride and/or phospholipid biosynthesis. Ketoconazole can also inhibit the synthesis of thromboxane and sterols such as aldosterone, cortisol, and testosterone. (A1990, A1991, A1992, A1993) |
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| Signs and Symptoms | Side effects of the potential hepatotoxicity of Ketoconazole include abdominal pain or tenderness, clay-colored stools, dark urine, decreased appetite, fever, headache, itching, loss of appetite, nausea and vomiting, skin rash, swelling of the feet or lower legs, unusual tiredness or weakness, and yellow eyes or skin. (L1536) |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| Toxicity Data | Hepatotoxicity, LD<sub>50</sub>=86 mg/kg (orally in rat)
LD50: 44 mg/kg (Intravenous, Mouse) (T66)
LD50: 702 mg/kg (Oral, Mouse) (T66) |
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