NIST researchers have published the first comprehensive data on the thermodynamic properties of amantadine hydrochloride, a common pharmaceutical ingredient used in antiviral and anti-parkinsonian medications. The data, which include information on how the compound responds to heat and changes from a solid to a gas, will help optimize production and storage conditions for this important medication.
Amantadine hydrochloride belongs to a class of compounds called diamondoids, which have a structure based on a carbon cage similar to diamond. The NIST research team, led by chemist Ala Bazyleva, used quantum chemistry methods to study the compound’s behavior in the gas phase. Their findings revealed that while the compound behaves as an ionic substance in solid and liquid forms, it decomposes into two neutral compounds in the gas phase.
The data generated by NIST’s Thermodynamics Research Center will be valuable to the chemical and pharmaceutical industries for improving production yields and shelf life of amantadine-based medications. The research also highlights the importance of high-level quantum chemistry calculations in understanding complex chemical processes.
Keywords: amantadine, thermodynamic, properties, quantum, chemistry
