title: Identification of a new sildenafil analogue in a health supplement.
abstract: A sildenafil analogue was detected and isolated from a health supplement claimed for human use. The structure of this new analogue was elucidated using LC-UV, LC-Orbitrap-MS, IR spectroscopy, 1D and 2D NMR. It was characterized as dithio-desmethylcarbodenafil containing 2 thiocarbonyl groups instead of 2 carbonyl groups, and 4-methyl substitution, on the piperazine ring, rather than 4-ethyl substitution, when compared to sildenafil.
authors: Pharmaceutical Laboratory, Applied Sciences Group, Health Science Authority, 11 Outram Road, Singapore 169078, Singapore. ge_xiao_wei@hsa.gov.sg
authors: Xiaowei
authors: X
authors: Ge
authors: Lin
authors: L
authors: Li
authors: Hwee-Ling
authors: HL
authors: Koh
authors: Min-Yong
authors: MY
authors: Low
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods; D019587:Dietary Supplements / Q000032:analysis*; D004340:Drug Contamination; D006801:Humans; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D013058:Mass Spectrometry / Q000379:methods; D000077489:Piperazine; D010879:Piperazines / Q000737:chemistry* / Q000302:isolation & purification; D011687:Purines / Q000737:chemistry / Q000302:isolation & purification; D000068677:Sildenafil Citrate; D013055:Spectrophotometry, Infrared / Q000379:methods; D013056:Spectrophotometry, Ultraviolet / Q000379:methods; D013450:Sulfones / Q000737:chemistry* / Q000302:isolation & purification
chemical_list: D010879:Piperazines; D011687:Purines; D013450:Sulfones; D000077489:Piperazine; D000068677:Sildenafil Citrate