UNASSIGNED: @entity69921 is a nonsteroidal anti-inflammatory drug and also has potent radical scavenger and antiperoxidative activity. However, metabolism of @entity69921 has not been thoroughly investigated. To identify in vivo metabolites, the drug was administered to @entity35 (n   =   5) at a dose of 20   mg   kg(-1) , and blood, urine and feces were collected at different time points up to 24   h. In vitro metabolism was delved by incubating the drug with @entity35 liver microsomes and @entity1 liver microsomes. The metabolites were enriched by optimized sample preparation involving protein precipitation using @entity1626 , followed by solid-phase extraction. Data processes were carried out using multiple mass defects filters to eliminate false-positive ions. A total of 11 metabolites have been identified in urine samples including @entity3787 , dealkylated, acetylated and glucuronide metabolites; among them, some were also observed in plasma and feces samples. Only two major metabolites were formed using liver microsomal incubations. These metabolites were also observed in vivo. All the 11 metabolites, which are hitherto unknown and novel, were characterized by using ultrahigh-performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry in combination with accurate mass measurements. Finally, in silico toxicological screening of all metabolites was evaluated, and two metabolites were proposed to show a certain degree of lung or liver @entity137 . Copyright    2015 John Wiley _ Sons, Ltd.

Rapid structural characterization of in vivo and in vitro metabolites of XXXX using UHPLC-QTOF-MS/MS and in silico toxicological screening of its metabolites.

@entity1 :: ('9606', 'Species') :: ['human'] @entity137 :: ('MESH:D064420', 'Disease') :: ['toxicity'] @entity1626 :: ('MESH:C032159', 'Chemical') :: ['acetonitrile'] @entity3787 :: ('MESH:D017665', 'Chemical') :: ['hydroxyl'] @entity35 :: ('10116', 'Species') :: ['rat', 'Sprague-Dawley rats'] @entity69921 :: ('MESH:C100290', 'Chemical') :: ['Tinoridine', 'tinoridine']
@entity69921 :: (MESH:C100290,Chemical) :: ['tinoridine']
