Ibrexafungerp
[CAS# 1207753-03-4]

Identification

• Name: Ibrexafungerp
• Synonyms: (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid
• Molecular Formula: C₄₄H₆₇N₅O₄
• Molecular Weight: 730.03
• CAS Registry Number: 1207753-03-4
• SMILES: C[C@H](C(C)C)[C@]1(CC[C@@]2([C@H]3CC[C@H]4[C@]5(COC[C@]4(C3=CC[C@]2([C@@H]1C(=O)O)C)C[C@H]([C@@H]5OC[C@@](C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C

Properties

• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.617, Calc.^*
• Boiling Point: 815.9±75.0 ºC (760 mmHg), Calc.^*
• Flash Point: 447.2±37.1 ºC, Calc.^*

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