Racemization of the gastrointestinal antisecretory chiral drug esomeprazole magnesium via the pyramidal inversion mechanism: A theoretical study

Chirality

Volumn 22, Issue 9, 2010, Pages 798-807

  Marom, Hili ^a   Agranat, Israel ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Ab initio; Chirality; DFT; Omeprazole; Racemization; Sulfoxide drugs

Indexed keywords

2 [(3 METHYL 2 PYRIDINYL)METHYL]SULFINYL 1H BENZIMIDAZOLE; BENZIMIDAZOLE DERIVATIVE; ESOMEPRAZOLE; OMEPRAZOLE; OXYGEN; SULFUR; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; DENSITY FUNCTIONAL THEORY; DIASTEREOISOMER; DRUG STRUCTURE; ENANTIOMER; PRIORITY JOURNAL; RACEMIZATION; THEORETICAL STUDY;

ANTI-ULCER AGENTS; GASTROINTESTINAL TRACT; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OMEPRAZOLE; QUANTUM THEORY; STEREOISOMERISM; TEMPERATURE; THERMODYNAMICS;

EID: 77956658760     PISSN: 08990042     EISSN: 1520636X     Source Type: Journal    
DOI: 10.1002/chir.20839     Document Type: Article

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