The crystal structure of KR-21042, an analgesic capsaicinoid.
The crystal structure of KR-21042, N-(3-Phenylpropyl)-4-hydroxy-3-methoxyphenylacetamide, was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of ethylacetate and n-hexane in monoclinic, space group P21/c, with a = 16.622(1), b = 6.215(1), c = 15.802(1) A, P= 104.97(1), and Z = 4. The calculated density is 1.261 g/cm3. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.068 for 2332 observed reflections.
Park
No Sang
NS
Korea Research Institute of Chemical Technology, Taejon.
Kim
Yang Bae
YB
Jeong
Eun Ju
EJ
Chung
Uoo Tae
UT
Park
I I Yeong
II
D000700:Analgesics / Q000737:chemistry*; D002211:Capsaicin / Q000031:analogs & derivatives* / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D013329:Structure-Activity Relationship
D000700:Analgesics; C464533:N-(3-phenylpropyl)-4-hydroxy-3-methoxyphenylacetamide; D002211:Capsaicin