4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone,a Nicotine-derived Carcinogenic Nitrosaminoketone (NNK): Three-dimensional Structure |
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| Authors: | Katz Amy K Carrell H L Afshar Carol E Glusker Jenny P Desai Dhimant Amin Shantu |
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| Institution: | (1) Fox Chase Cancer Center, The Institute for Cancer Research, 7701 Burholme Avenue, Philadelphia, PA, 19111, U.S.A;(2) American Health Foundation, 1 Dana Road, Valhalla, NY, 10595, U.S.A |
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| Abstract: | The three-dimensional structure of the carcinogenic nicotine-derived nitrosaminoketone, 4-(methyl-nitrosamino)-l-(3-pyridyl)-l-butanone, has been determined by X-ray crystallographic techniques. The molecule is essentially planar except for the methylnitrosamine group which is oriented at a dihedral angle of 68.7° to the pyridine ring. Molecules pack by way of —H O interactions that involve the —NNO group. |
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| Keywords: | Nicotine-derived nitrosaminoketone nitrosamine crystal structure molecular dimensions |
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