7-Aminoflunitrazepam (BioDeep_00000397511)

   


代谢物信息卡片


7-amino-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

化学式: C16H14FN3O (283.1120846)
中文名称: 氨基氟硝西泮
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3F
InChI: InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3

描述信息

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3719
CONFIDENCE standard compound; INTERNAL_ID 1596

同义名列表

3 个代谢物同义名

7-Aminoflunitrazepam; 7-amino-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one; 7-amino-flunitrazepam



数据库引用编号

24 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

0 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。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Shiyang Qin, Guobin Xin, Yuanfeng Wang, Jing Qiao, Wenfang Zhang, Duoqi Xu, Zizhen Xu, Yongtao Liu, Ying Zhang, Jianghai Lu. Characterization and tentative identification of new flunitrazepam metabolites in authentic human urine specimens using liquid chromatography-Q exactive-HF hybrid quadrupole-Orbitrap-mass spectrometry (LC-QE-HF-MS). Journal of mass spectrometry : JMS. 2019 Aug; 54(8):704-715. doi: 10.1002/jms.4383. [PMID: 31233253]
  • Yu-Ru Wu, Hsiang-Yu Liu, Shu-Ling Lin, Ming-Ren Fuh. Quantification of 7-aminoflunitrazepam in human urine by polymeric monolith-based capillary liquid chromatography coupled to tandem mass spectrometry. Talanta. 2018 Jan; 176(?):293-298. doi: 10.1016/j.talanta.2017.08.040. [PMID: 28917754]
  • Koutaro Hasegawa, Amin Wurita, Kayoko Minakata, Kunio Gonmori, Hideki Nozawa, Itaru Yamagishi, Kanako Watanabe, Osamu Suzuki. Postmortem distribution of flunitrazepam and its metabolite 7-aminoflunitrazepam in body fluids and solid tissues in an autopsy case: Usefulness of bile for their detection. Legal medicine (Tokyo, Japan). 2015 Sep; 17(5):394-400. doi: 10.1016/j.legalmed.2015.06.002. [PMID: 26173614]
  • Oliver Lerch, Oliver Temme, Thomas Daldrup. Comprehensive automation of the solid phase extraction gas chromatographic mass spectrometric analysis (SPE-GC/MS) of opioids, cocaine, and metabolites from serum and other matrices. Analytical and bioanalytical chemistry. 2014 Jul; 406(18):4443-51. doi: 10.1007/s00216-014-7815-7. [PMID: 24788888]
  • Akira Namera, Ryosuke Makita, Tatsuro Saruwatari, Aiko Hatano, Hiroaki Shiraishi, Masataka Nagao. Acute intoxication caused by overdose of flunitrazepam and triazolam: high concentration of metabolites detected at autopsy examination. The American journal of forensic medicine and pathology. 2012 Dec; 33(4):293-6. doi: 10.1097/paf.0b013e31820f1514. [PMID: 21372658]
  • Béla Kiss, Catalina Bogdan, Anca Pop, Felicia Loghin. A rapid UPLC-MS/MS method for simultaneous determination of flunitrazepam, 7-aminoflunitrazepam, methadone and EDDP in human, rat and rabbit plasma. Talanta. 2012 Sep; 99(?):649-59. doi: 10.1016/j.talanta.2012.06.070. [PMID: 22967607]
  • Yi-Chi Ho, Mei-Chun Tseng, Ying-Wei Lu, Chun-Cheng Lin, Yu-Ju Chen, Ming-Ren Fuh. Nanoparticle-assisted MALDI-TOF MS combined with seed-layer surface preparation for quantification of small molecules. Analytica chimica acta. 2011 Jul; 697(1-2):1-7. doi: 10.1016/j.aca.2011.04.008. [PMID: 21641411]
  • Hsin-Yu Bai, Shu-Ling Lin, Shen-An Chan, Ming-Ren Fuh. Characterization and evaluation of two-dimensional microfluidic chip-HPLC coupled to tandem mass spectrometry for quantitative analysis of 7-aminoflunitrazepam in human urine. The Analyst. 2010 Oct; 135(10):2737-42. doi: 10.1039/c0an00355g. [PMID: 20820494]
  • Josh Gunn, Scott Kriger, Andrea R Terrell. Simultaneous determination and quantification of 12 benzodiazepines in serum or whole blood using UPLC/MS/MS. Methods in molecular biology (Clifton, N.J.). 2010; 603(?):107-19. doi: 10.1007/978-1-60761-459-3_10. [PMID: 20077063]
  • Mahaveer B Melwanki, Wei-Shan Chen, Hsin-Yu Bai, Tzuen-Yeuan Lin, Ming-Ren Fuh. Determination of 7-aminoflunitrazepam in urine by dispersive liquid-liquid microextraction with liquid chromatography-electrospray-tandem mass spectrometry. Talanta. 2009 Apr; 78(2):618-22. doi: 10.1016/j.talanta.2008.12.021. [PMID: 19203634]
  • Stéphane Pirnay, Bruno Megarbane, Xavier Declèves, Patricia Risède, Stephen W Borron, Stéphane Bouchonnet, Bérangère Perrin, Marcel Debray, Nathalie Milan, Tania Duarte, Ivan Ricordel, Frédéric J Baud. Buprenorphine alters desmethylflunitrazepam disposition and flunitrazepam toxicity in rats. Toxicological sciences : an official journal of the Society of Toxicology. 2008 Nov; 106(1):64-73. doi: 10.1093/toxsci/kfn163. [PMID: 18703559]
  • Kei Zaitsu, Akihiro Miki, Munehiro Katagi, Hitoshi Tsuchihashi. Long-term stability of various drugs and metabolites in urine, and preventive measures against their decomposition with special attention to filtration sterilization. Forensic science international. 2008 Jan; 174(2-3):189-96. doi: 10.1016/j.forsciint.2007.04.224. [PMID: 17555899]
  • Franz E Dussy, Cornelia Hamberg, Thomas A Briellmann. Quantification of benzodiazepines in whole blood and serum. International journal of legal medicine. 2006 Nov; 120(6):323-30. doi: 10.1007/s00414-005-0042-1. [PMID: 16220317]
  • Chiung-Wei Huang, Hsiu-Ping Jen, Ren-De Wang, You-Zung Hsieh. Sweeping technique combined with micellar electrokinetic chromatography for the simultaneous determination of flunitrazepam and its major metabolites. Journal of chromatography. A. 2006 Mar; 1110(1-2):240-4. doi: 10.1016/j.chroma.2006.01.070. [PMID: 16483590]
  • Jeffery Hackett, Albert A Elian. Extraction and analysis of flunitrazepam/7-aminoflunitrazepam in blood and urine by LC-PDA and GC-MS using butyl SPE columns. Forensic science international. 2006 Mar; 157(2-3):156-62. doi: 10.1016/j.forsciint.2005.03.019. [PMID: 15955650]
  • H L Lord, M Rajabi, S Safari, J Pawliszyn. Development of immunoaffinity solid phase microextraction probes for analysis of sub ng/mL concentrations of 7-aminoflunitrazepam in urine. Journal of pharmaceutical and biomedical analysis. 2006 Feb; 40(3):769-80. doi: 10.1016/j.jpba.2005.10.003. [PMID: 16352414]
  • Dong-Liang Lin, Rea-Ming Yin, Cheng-Hsing Chen, Ya-Lei Chen, Ray H Liu. Performance characteristics of 7-aminoflunitrazepam specific enzyme-linked immunosorbent assays. Journal of analytical toxicology. 2005 Oct; 29(7):718-23. doi: 10.1093/jat/29.7.718. [PMID: 16419407]
  • Robert Kronstrand, Ingrid Nyström, Joakim Strandberg, Henrik Druid. Screening for drugs of abuse in hair with ion spray LC-MS-MS. Forensic science international. 2004 Oct; 145(2-3):183-90. doi: 10.1016/j.forsciint.2004.04.034. [PMID: 15451091]
  • Masaru Terada, Sousuke Masui, Takeshi Hayashi, Ritsuko Watanabe, Hiromasa Inoue, Morio Iino, Masato Nakatome, Ryoji Matoba, Tatsuo Shinozuka, Tatsuya Murai, Einosuke Tanaka, Katsuya Honda. Simultaneous determination of flunitrazepam and 7-aminoflunitrazepam in human serum by ion trap gas chromatography-tandem mass spectrometry. Legal medicine (Tokyo, Japan). 2003 Mar; 5 Suppl 1(?):S96-S100. doi: 10.1016/s1344-6223(02)00075-5. [PMID: 12935562]
  • Perng-Haur Wang, Chiareiy Liu, Wen-Ing Tsay, Jih-Heng Li, Ray H Liu, Tai-Guang Wu, Wen-Jing Cheng, Dong-Liang Lin, Tsun-Ying Huang, Cheng-Hsing Chen. Improved screen and confirmation test of 7-aminoflunitrazepam in urine specimens for monitoring flunitrazepam (Rohypnol) exposure. Journal of analytical toxicology. 2002 Oct; 26(7):411-8. doi: 10.1093/jat/26.7.411. [PMID: 12422994]
  • Nele Samyn, Gert De Boeck, Vincent Cirimele, Alain Verstraete, Pascal Kintz. Detection of flunitrazepam and 7-aminoflunitrazepam in oral fluid after controlled administration of rohypnol. Journal of analytical toxicology. 2002 May; 26(4):211-5. doi: 10.1093/jat/26.4.211. [PMID: 12054361]
  • Yu-Hong Wu, Jia-Yi Tan, Yong Xia. [Determination of 7-aminoflunitrazepam, the major metabolite of flunitrazepam in urine by high performance thin-layer chromatography]. Se pu = Chinese journal of chromatography. 2002 Mar; 20(2):182-4. doi: NULL. [PMID: 12541981]
  • H Snyder, K S Schwenzer, R Pearlman, A J McNally, M Tsilimidos, S J Salamone, R Brenneisen, M A ElSohly, S Feng. Serum and urine concentrations of flunitrazepam and metabolites, after a single oral dose, by immunoassay and GC-MS. Journal of analytical toxicology. 2001 Nov; 25(8):699-704. doi: 10.1093/jat/25.8.699. [PMID: 11765027]
  • A Negrusz, C M Moore, T L Stockham, K R Poiser, J L Kern, R Palaparthy, N L Le, P G Janicak, N A Levy. Elimination of 7-aminoflunitrazepam and flunitrazepam in urine after a single dose of Rohypnol. Journal of forensic sciences. 2000 Sep; 45(5):1031-40. doi: NULL. [PMID: 11005178]
  • H Nguyen, D R Nau. Rapid method for the solid-phase extraction and GC-MS analysis of flunitrazepam and its major metabolites in urine. Journal of analytical toxicology. 2000 Jan; 24(1):37-45. doi: 10.1093/jat/24.1.37. [PMID: 10654568]
  • M A ElSohly, S Feng, S J Salamone, R Brenneisen. GC-MS determination of flunitrazepam and its major metabolite in whole blood and plasma. Journal of analytical toxicology. 1999 Oct; 23(6):486-9. doi: 10.1093/jat/23.6.486. [PMID: 10517555]
  • A Negrusz, C Moore, D Deitermann, D Lewis, K Kaleciak, R Kronstrand, B Feeley, R S Niedbala. Highly sensitive micro-plate enzyme immunoassay screening and NCI-GC-MS confirmation of flunitrazepam and its major metabolite 7-aminoflunitrazepam in hair. Journal of analytical toxicology. 1999 Oct; 23(6):429-35. doi: 10.1093/jat/23.6.429. [PMID: 10517547]
  • J Feely, P V Kavanagh, S M McNamara. The detection and quantitation of 7-aminoflunitrazepam, the major urinary metabolite of flunitrazepam, by gas chromatography/mass spectrometry. Irish journal of medical science. 1999 Jul; 168(3):189-92. doi: 10.1007/bf02945851. [PMID: 10540786]
  • I Deinl, L Angermaier, C Franzelius, G Machbert. Simple high-performance liquid chromatographic column-switching technique for the on-line immunoaffinity extraction and analysis of flunitrazepam and its main metabolites in urine. Journal of chromatography. B, Biomedical sciences and applications. 1997 Dec; 704(1-2):251-8. doi: 10.1016/s0378-4347(97)00429-5. [PMID: 9518158]
  • W He, N Parissis. Simultaneous determination of flunitrazepam and its metabolites in plasma and urine by HPLC/DAD after solid phase extraction. Journal of pharmaceutical and biomedical analysis. 1997 Dec; 16(4):707-15. doi: 10.1016/s0731-7085(97)00185-4. [PMID: 9502166]
  • Y C Sumirtapura, C Aubert, P Coassolo, J P Cano. Determination of 7-amino-flunitrazepam (Ro 20-1815) and 7-amino-desmethylflunitrazepam (Ro 5-4650) in plasma by high-performance liquid chromatography and fluorescence detection. Journal of chromatography. 1982 Oct; 232(1):111-8. doi: 10.1016/s0378-4347(00)86013-2. [PMID: 6128350]