The drug barbiturate is well known. It has different forms-mostly different types of barbituric acid. Consider the

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The drug barbiturate is well known. It has different forms-mostly different types of barbituric acid. Consider the following list of barbituric acids: \{Candidate 1: 000077-02-1; Candidate 2: 061346-87-0; Candidate 3: 000076-94-8; Candidate 4: 091430-64-7; Candidate 5: 001953-33-9; Candidate 6: 007391-69-7; Candidate 7: 090197-63-0; Candidate 8: 017013-41-1; and Candidate 9: 027653-63-0\}. Analyze each compound and calculate its \(\log K_{\text {ow }}\). Use the following two models to estimate the molar concentration \((C)\) needed to produce a 1:1 complex with protein (binding to bovine serum albumin).

Model-1: \(\log (1 / C)=0.58 \log K_{\text {ow }}+0.239\)

To calculate the hypnotic activity of the compound in rabbits after subcutaveous injection, use \[\text { Model-2: } \log (1 / C)=2.09 \log K_{o w}-0.63\left(\log K_{\mathrm{ow}}\right)^{2}+1.92\]

Find which form of barbituric acid has the best (lowest) concentrations in both cases. For the best barbiturate molecule, find a solvent that is miscible with water.

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Product And Process Design Principles Synthesis Analysis And Evaluation

ISBN: 9781119355243

4th Edition

Authors: Warren D. Seider, Daniel R. Lewin, J. D. Seader, Soemantri Widagdo, Rafiqul Gani, Ka Ming Ng

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