1631143-20-8

Basic information

• Product Name: C₁₆H₁₄F₃N₅O*C₇H₅NO₄
• CAS NO: 1631143-20-8
• Molecular Weight: 516.436
• Mol File: 1631143-20-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₆H₁₄F₃N₅O*C₇H₅NO₄(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₆H₁₄F₃N₅O*C₇H₅NO₄(1631143-20-8)
• EPA Substance Registry System: C₁₆H₁₄F₃N₅O*C₇H₅NO₄(1631143-20-8)

Safety Data

• Hazardous Substances Data: 1631143-20-8(Hazardous Substances Data)

Upstream product

• 137234-62-9 voriconazole 
• 121-92-6 3-nitrobenzoic acid 

Relevant articles and documents

Pharmaceutical cocrystals and a nitrate salt of voriconazole

Voriconazole ((2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1- (1H-1,2,4-triazol-1-yl)butan-2-ol, VZL) is an antifungal drug with low aqueous solubility of 0.71 mg mL-1 and a BCS class II drug (Biopharmaceutics Classification System) of the azole family. We have prepared a nitrate salt and three cocrystals of VZL with p-hydroxybenzoic acid, p-aminobenzoic acid (both are GRAS compounds) and m-nitrobenzoic acid coformers to improve the physicochemical properties. All four multi-component crystals of voriconazole were obtained by solution crystallization as well as solid-state grinding and their structures were confirmed by X-ray diffraction, FT-IR, Raman and NMR spectroscopy, and thermal techniques. VZL-PHBA and VZL-PABA are isostructural based on XPac calculations and molecular packing arrangement. A notable result from a crystal engineering viewpoint is that the supramolecular synthon between the basic drug and the acidic coformer undergoes a switch based on the pK a of the acid.