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Measurement and prediction of solubilities of active pharmaceutical ingredients.

PubMed
Authors: Hahnenkamp I, Graubner G, Gmehling J

Year

2010

Paper ID

12390

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

77

Citations

97

Abstract

Solubilities of 2-acetoxy benzoic acid (aspirin), N-acetyl-p-aminophenol (paracetamol) and 2-(p-isobutylphenyl)propionic acid (ibuprofen) have been measured in various solvents and compared with published and predicted data. For the prediction besides the two group contribution models UNIFAC and modified UNIFAC (Dortmund) the quantum chemical approach COSMO-RS (Ol) was used. Additionally melting temperatures and heats of fusion for 2-acetoxy benzoic acid, N-acetyl-p-aminophenol and 2-(p-isobutylphenyl)propionic acid required for the calculations have been determined by differential scanning calorimetry.

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  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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  • Solubilities of 2-acetoxy benzoic acid (aspirin), N-acetyl-p-aminophenol (paracetamol) and 2-(p-isobutylphenyl)propionic acid (ibuprofen) have been measured in various solvents...

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References & Citation Signals

[1] DOI https://doi.org/10.1016/j.ijpharm.2009.12.036 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/20035849/

Local Citation Graph (Related-Paper Links)

Current Paper #12390 #68465 Bounding Eigenstate Overlap fro... #68440 Classical State Preparation for... #68437 Transition-state lattice modes ... #68423 Selective Fermi-Level Pinning: ...

External citation index: OpenAlex citation signal • updated 2026-06-11 03:37:09

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