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| IUPAC Name: | phenyl N-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]carbamate |
| Description: | (4-(4-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)carbamic Acid Phenyl Ester is an intermediate in the synthesis of derivatives of Itraconazole (I937500), an orally active antimycotic and antifungal compound. |
| Molecular Weight: | 701.6 |
| Molecular Formula: | C36H34Cl2N6O5 |
| Canonical SMILES: | C1CN(CCN1C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl |
| InChI: | InChI=1S/C36H34Cl2N6O5/c37-26-6-15-33(34(38)20-26)36(23-44-25-39-24-40-44)47-22-32(49-36)21-46-30-13-11-29(12-14-30)43-18-16-42(17-19-43)28-9-7-27(8-10-28)41-35(45)48-31-4-2-1-3-5-31/h1-15,20,24-25,32H,16-19,21-23H2,(H,41,45)/t32-,36-/m0/s1 |
| InChI Key: | DLGUZSCALGYPPM-IKYOIFQTSA-N |
| Solubility: | DCM, Methanol |
| Appearance: | Beige Solid |
| References: | Heeres, J., et al. J. Med. Chem., 27, 894 (1984). |
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