Posaconazole Impurity 44
[CAS# 1370190-94-5]

Identification

• Name: Posaconazole Impurity 44
• Synonyms: 4-(4-((2-((4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)amino)ethyl)amino)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
• Molecular Formula: C₆₇H₆₅BrN₇O₁₄PS₄
• Molecular Weight: 1431.41
• CAS Registry Number: 1370190-94-5
• SMILES: FC1=C(C=CC(F)=C1)[C@]2(C[C@H](COC3=CC=C(NCCNC4=CC=C(N(C=NN5[C@@H](CC)[C@@H](O)C)C5=O)C=C4)C=C3)CO2)CN6C=NC=N6

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.646, Calc.^*
• Boiling Point: 847.1±75.0 °C (760 mmHg), Calc.^*
• Flash Point: 466.1±37.1 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.