TY - JOUR
T1 - Rationalizing the structural properties of bupivacaine base - a local anaesthetic - directly from powder diffraction data
AU - Cheung, Eugene
AU - Harris, Kenneth
AU - Johnston, Roy
AU - Kitchin, Simon
AU - Hadden, KL
AU - Zakrzewski, M
PY - 2004/3/1
Y1 - 2004/3/1
N2 - Bupivacaine belongs to a family of 1-alkyl-2',6'-pipecoloxylidides, which has shown promise as reversible action potential blockers that can introduce prolonged local anesthetic effects. The crystal structure of the free-base form of bupivacaine has been determined directly from powder X-ray diffraction data using the Genetic Algorithm technique for structure solution, followed by Rietveld refinement. This work further emphasizes the scope and utility of ab initio structure solution directly from powder X-ray diffraction data for tackling structural problems within the biomedical field, leading to opportunities for the investigation of structure-property relationships. (C) 2004 Wiley-Liss, Inc.
AB - Bupivacaine belongs to a family of 1-alkyl-2',6'-pipecoloxylidides, which has shown promise as reversible action potential blockers that can introduce prolonged local anesthetic effects. The crystal structure of the free-base form of bupivacaine has been determined directly from powder X-ray diffraction data using the Genetic Algorithm technique for structure solution, followed by Rietveld refinement. This work further emphasizes the scope and utility of ab initio structure solution directly from powder X-ray diffraction data for tackling structural problems within the biomedical field, leading to opportunities for the investigation of structure-property relationships. (C) 2004 Wiley-Liss, Inc.
KW - powder X-ray diffraction data
KW - local anesthetic effects
KW - bupivacaine base
UR - http://www.scopus.com/inward/record.url?scp=1542515179&partnerID=8YFLogxK
U2 - 10.1002/jps.10551
DO - 10.1002/jps.10551
M3 - Article
C2 - 14762905
SN - 1520-6017
VL - 93
SP - 667
EP - 674
JO - Journal of Pharmaceutical Sciences
JF - Journal of Pharmaceutical Sciences
ER -