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Literature DB >> 11169540

Estimation of the aqueous solubility I: application to organic nonelectrolytes.

Abstract

The estimation of aqueous solubilities of organic nonelectrolytes by the General Solubility Equation (GSE) as proposed by Valvani and Yalkowsky (1980) is used in this study. The data and assumptions on which the GSE are based are reevaluated, and the equation is revised. The revised GSE is validated on a set of 580 pharmaceutically, environmentally, and industrially relevant nonelectrolytes. The revised equation has a stronger theoretical background and provides a more accurate estimation of aqueous solubility.

Entities: Chemical

Mesh：

Substances：
Organic Chemicals
Water

Year: 2001 PMID： 11169540 DOI： 10.1002/1520-6017(200102)90:2<234::aid-jps14>3.0.co;2-v

Source DB: PubMed Journal: J Pharm Sci ISSN： 0022-3549 Impact factor: 3.534

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Cited

37 in total

1. A simple modified absorption potential.

Authors: T Sanghvi; N Ni; S H Yalkowsky
Journal: Pharm Res Date: 2001-12 Impact factor: 4.200

2. Estimation of aqueous solubility of organic compounds with QSPR approach.

Authors: Hua Gao; Veerabahu Shanmugasundaram; Pil Lee
Journal: Pharm Res Date: 2002-04 Impact factor: 4.200

3. In silico prediction of aqueous solubility, human plasma protein binding and volume of distribution of compounds from calculated pKa and AlogP98 values.

Authors: Mario Lobell; Vinothini Sivarajah
Journal: Mol Divers Date: 2003 Impact factor: 2.943

Estimation of the aqueous solubility I: application to organic nonelectrolytes.

1. A simple modified absorption potential.

2. Estimation of aqueous solubility of organic compounds with QSPR approach.

3. In silico prediction of aqueous solubility, human plasma protein binding and volume of distribution of compounds from calculated pKa and AlogP98 values.

4. Aqueous solubility of a simple (single-carbon) organic molecule as a function of its size & dipole moment.

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6. A 'rule of unity' for human intestinal absorption.

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8. Lipophilicity in Drug Development: Too Much or Not Enough?

9. Analysis of relationships between solid-state properties, counterion, and developability of pharmaceutical salts.

10. Preformulation, formulation, and in vivo efficacy of topically applied apomine.