N,N-Dimethyl-1-[5-[2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide (BioDeep_00000171397)

   

human metabolite


代谢物信息卡片


N,N-dimethyl-1-(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methanamine oxide

化学式: C13H22N4O4S (330.13616920000004)
中文名称: 雷尼替丁N-氧化物
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)C[N+](C)(C)[O-]
InChI: InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3/b13-8+

描述信息

同义名列表

6 个代谢物同义名

N,N-dimethyl-1-(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methanamine oxide; N,N-Dimethyl-1-[5-[2-[[(e)-1-(methylamino)-2-nitroethenyl]amino]ethylsulphanylmethyl]furan-2-yl]methanamine oxide; N,N-Dimethyl-1-[5-[2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide; Ranitidine N-oxide hydrochloride; Ranitidine N-oxide; Ranitidine-N-Oxide



数据库引用编号

5 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

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文献列表

  • Chang-Shin Park, Ju-Hee Kang, Woon-Gye Chung, Hyun-Gyu Yi, Jae-Eun Pie, Dong-Kyun Park, R N Hines, D G McCarver, Young-Nam Cha. Ethnic differences in allelic frequency of two flavin-containing monooxygenase 3 (FMO3) polymorphisms: linkage and effects on in vivo and in vitro FMO activities. Pharmacogenetics. 2002 Jan; 12(1):77-80. doi: 10.1097/00008571-200201000-00011. [PMID: 11773868]
  • J H Kang, W G Chung, K H Lee, C S Park, J S Kang, I C Shin, H K Roh, M S Dong, H M Baek, Y N Cha. Phenotypes of flavin-containing monooxygenase activity determined by ranitidine N-oxidation are positively correlated with genotypes of linked FM03 gene mutations in a Korean population. Pharmacogenetics. 2000 Feb; 10(1):67-78. doi: 10.1097/00008571-200002000-00009. [PMID: 10739174]
  • P Viñas, N Campillo, C López-Erroz, M Hernández-Córdoba. Use of post-column fluorescence derivatization to develop a liquid chromatographic assay for ranitidine and its metabolites in biological fluids. Journal of chromatography. B, Biomedical sciences and applications. 1997 Jun; 693(2):443-9. doi: 10.1016/s0378-4347(97)00075-3. [PMID: 9210451]
  • M H Davies, J M Ngong, A Pean, C R Vickers, R H Waring, E Elias. Sulphoxidation and sulphation capacity in patients with primary biliary cirrhosis. Journal of hepatology. 1995 May; 22(5):551-60. doi: 10.1016/0168-8278(95)80450-1. [PMID: 7650336]
  • M S Lant, L E Martin, J Oxford. Qualitative and quantitative analysis of ranitidine and its metabolites by high-performance liquid chromatography-mass spectrometry. Journal of chromatography. 1985 Apr; 323(1):143-52. doi: 10.1016/s0021-9673(01)90379-6. [PMID: 4008551]
  • J Tamura, N Sato, H Ezaki, H Miyamoto, S Oda, K Hirai, H Tokado, M Matsumoto, T Shirai. [Acute toxicity of ranitidine and its metabolite in mice, rats and rabbits, and subacute oral toxicity of ranitidine in rats]. The Journal of toxicological sciences. 1983 Jan; 8 Suppl 1(?):1-24. doi: 10.2131/jts.8.supplementi_1. [PMID: 6134840]