Conformational spaces of the gastrointestinal antisecretory chiral drug omeprazole: Stereochemistry and tautomerism

Chirality

Volumn 18, Issue 1, 2006, Pages 10-16

  Caner, Hava ^a   Cheeseman, James R ^b   Agranat, Israel ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b GAUSSIAN INC   (United States)

Author keywords

Chiral switch; DFT, ab initio; Esomeprazole magnesium; Semiempirical calculations; Stereochemistry; Tautomers

Indexed keywords

ESOMEPRAZOLE; FUNCTIONAL GROUP; OMEPRAZOLE; PROTON PUMP INHIBITOR; PYRIDINE; STOMACH SECRETION INHIBITOR; SULFINIC ACID DERIVATIVE; SULFUR;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHIRALITY; DENSITY FUNCTIONAL THEORY; DIASTEREOISOMER; DRUG CONFORMATION; ENANTIOMER; ENERGY; ISOMER; ISOMERISM; MOLECULAR STABILITY; PRIORITY JOURNAL; ROTATION; SEMIEMPIRICAL CALCULATION; STEREOCHEMISTRY; TAUTOMER; TAUTOMERIC SHIFT; TORSION; TORSION ANGLE;

DIGESTIVE SYSTEM; GASTROINTESTINAL AGENTS; MOLECULAR CONFORMATION; OMEPRAZOLE; STEREOISOMERISM; THERMODYNAMICS;

EID: 29644448382     PISSN: 08990042     EISSN: None     Source Type: Journal    
DOI: 10.1002/chir.20214     Document Type: Article

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