rdf:type |
|
lifeskim:mentions |
|
pubmed:issue |
8
|
pubmed:dateCreated |
1980-10-24
|
pubmed:abstractText |
On the basis of a semiempirical analysis, an equation was obtained that enables the estimation of the aqueous solubility of either liquid or crystalline organic nonelectrolytes: (see formula in text) where log PC and delta Sf are estimated from the chemical structure and MP is either known or experimentally determined. Analysis of this equation provides a means of assessing the role of crystal structure [as reflected by the melting point (MP) and the entropy of fusion (delta Sf)] and of the activity coefficient [as reflected by the octanol-water partition coefficient (PC)] in controlling the aqueous solubility of a drug. Techniques are also provided for estimating the entropy of fusion of organic compounds.
|
pubmed:language |
eng
|
pubmed:journal |
|
pubmed:citationSubset |
IM
|
pubmed:chemical |
|
pubmed:status |
MEDLINE
|
pubmed:month |
Aug
|
pubmed:issn |
0022-3549
|
pubmed:author |
|
pubmed:issnType |
Print
|
pubmed:volume |
69
|
pubmed:owner |
NLM
|
pubmed:authorsComplete |
Y
|
pubmed:pagination |
912-22
|
pubmed:dateRevised |
2008-11-21
|
pubmed:meshHeading |
pubmed-meshheading:7400936-Alcohols,
pubmed-meshheading:7400936-Benzene,
pubmed-meshheading:7400936-Benzoates,
pubmed-meshheading:7400936-Chemistry, Physical,
pubmed-meshheading:7400936-Physicochemical Phenomena,
pubmed-meshheading:7400936-Solubility,
pubmed-meshheading:7400936-Steroids,
pubmed-meshheading:7400936-Temperature,
pubmed-meshheading:7400936-Thermodynamics,
pubmed-meshheading:7400936-Water
|
pubmed:year |
1980
|
pubmed:articleTitle |
Solubility and partitioning I: Solubility of nonelectrolytes in water.
|
pubmed:publicationType |
Journal Article
|