Drug Metabolism in Drug Design and Development Basic Concepts and Practice

TABLE 12.6 (

Continued

)

1D NMR experiment

Application

Advantages

Limitations

Comments

1D

19

F

Verify the modification

site is near or at thefluorine atom.

Verify the relative ratio

of total metabolites.

High sensitivity. It could

provide additionalstructure informationwhen the sample amountis limited for otherNMR experiment. Canbe used for massbalance issues

Limited applications

Use for compounds

containing

19

F

.

1D

13

C

Verify carbon skeleton

and functional groupmodifications in themolecule.

Chemical shifts provide

characteristic range fordifferent functionalgroups. It is a powerfultool to distinguish C



N

versus C



O and C



O

versus C

¼

C

Insensitive,

>

100

m

g

sample required forreasonable spectra

Rarely performed on

isolated metabolitesdue to samplelimitations

384