itraconazole


2-sec-butyl-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one; itraconazole
Links:🌍 Wikipedia, 📖 PubMed
MeSH:14-alpha Demethylase Inhibitors; Anti-Infective Agents; Cytochrome P-450 Enzyme Inhibitors; Enzyme Inhibitors; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Steroid Synthesis Inhibitors
CAS RN:[84625-61-6]
Formula:C35H38Cl2N8O4; 705.64 g/mol
InChiKey:VHVPQPYKVGDNFY-ZPGVKDDISA-N
SMILES:CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
Molecular structure of itraconazole
Melting point:166 °C
Log10 partition octanol / water:5.66