Conformational evaluation and detailed 1H and 13C NMR assignments of flavoxate, a urinary tract antispasmodic agent

Journal of Pharmaceutical and Biomedical Analysis

Volumn 41, Issue 2, 2006, Pages 603-609

  Pérez Hernández, Nury ^a   Morales Ríos, Martha S ^b   Cerda García Rojas, Carlos M ^b   Joseph Nathan, Pedro ^b  

^a UNIVERSIDAD AUTÓNOMA DEL ESTADO DE HIDALGO   (Mexico)

^b DEPARTAMENTO DE FÍSICA   (Mexico)

Author keywords

2D NMR; Conformational analysis; DFT calculations; Flavoxate; Molecular modeling; NOEDS; Urinary tract antispasmodic

Indexed keywords

CALCIUM CHANNEL BLOCKING AGENT; CALCIUM CHANNEL L TYPE; FLAVOXATE; URINARY TRACT SPASMOLYTIC AGENT;

ACCURACY; ANALYTIC METHOD; ARTICLE; CALCULATION; CARBON NUCLEAR MAGNETIC RESONANCE; DENSITY; DENSITY FUNCTIONAL THEORY; DRUG CONFORMATION; DRUG SCREENING; DRUG STRUCTURE; ELECTRON; ENERGY; GEOMETRY; MEASUREMENT; MOLECULAR MECHANICS; MOLECULAR MODEL; MONTE CARLO METHOD; NUCLEAR OVERHAUSER EFFECT; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; SURFACE PROPERTY;

COMPUTER SIMULATION; FLAVOXATE; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MONTE CARLO METHOD; PARASYMPATHOLYTICS; URINARY TRACT;

EID: 33645990661     PISSN: 07317085     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpba.2005.11.042     Document Type: Article

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