N-DESMETHYLVENLAFAXINE (BioDeep_00000397742)

   


代谢物信息卡片


D,L N-Desmethyl Venlafaxine

化学式: C16H25NO2 (263.188519)
中文名称: 1-[2-甲基氨基-1-(4-甲氧基苯基)乙基]环己醇
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O
InChI: InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3

描述信息

A monomethoxybenzene that is the N-desmethyl derivative of venlafaxine.
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1200
CONFIDENCE standard compound; EAWAG_UCHEM_ID 1034

同义名列表

3 个代谢物同义名

D,L N-Desmethyl Venlafaxine; N-DESMETHYLVENLAFAXINE; NVE_264.1959_12.6



数据库引用编号

26 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

  • Yong-Liang Zhu, Shuang-Long Li, Ke-Li Chen, Kun-Peng Ma, De-Qian Wu, Xiang-Jun Qiu. Effect Of Chinese Herb Danzhi Xiaoyao Pills On Pharmacokinetics Of Venlafaxine In Beagles. Drug design, development and therapy. 2019; 13(?):3343-3355. doi: 10.2147/dddt.s221927. [PMID: 31571835]
  • Anna Petruczynik, Karol Wroblewski, Malgorzata Szultka-Mlynska, Boguslaw Buszewsk, Hanna Karakula-Juchnowicz, Jacek Gajewski, Justyna Morylowska-Topolska, Monika Waksmundzka-Hajnosi. DETERMINATION OF VENLAFAXINE, VILAZODONE AND THEIR MAIN ACTIVE METABOLITES IN HUMAN SERUM BY HPLC-DAD AND HPLC-MS. Acta poloniae pharmaceutica. 2017 May; 74(3):765-775. doi: NULL. [PMID: 29513945]
  • Luis Felippe C Miranda, Diego S Domingues, Maria Eugênia C Queiroz. Selective solid-phase extraction using molecularly imprinted polymers for analysis of venlafaxine, O-desmethylvenlafaxine, and N-desmethylvenlafaxine in plasma samples by liquid chromatography-tandem mass spectrometry. Journal of chromatography. A. 2016 Aug; 1458(?):46-53. doi: 10.1016/j.chroma.2016.06.024. [PMID: 27388659]
  • Patrícia da Fonseca, Pierina Sueli Bonato. Hollow-fiber liquid-phase microextraction and chiral LC-MS/MS analysis of venlafaxine and its metabolites in plasma. Bioanalysis. 2013 Mar; 5(6):721-30. doi: 10.4155/bio.13.22. [PMID: 23484789]
  • Christoffer Bundgaard, Christian Jes Nyberg Jensen, Mats Garmer. Species comparison of in vivo P-glycoprotein-mediated brain efflux using mdr1a-deficient rats and mice. Drug metabolism and disposition: the biological fate of chemicals. 2012 Mar; 40(3):461-6. doi: 10.1124/dmd.111.043083. [PMID: 22112383]
  • Maria Kingbäck, Martin Josefsson, Louise Karlsson, Johan Ahlner, Finn Bengtsson, Fredrik C Kugelberg, Björn Carlsson. Stereoselective determination of venlafaxine and its three demethylated metabolites in human plasma and whole blood by liquid chromatography with electrospray tandem mass spectrometric detection and solid phase extraction. Journal of pharmaceutical and biomedical analysis. 2010 Nov; 53(3):583-90. doi: 10.1016/j.jpba.2010.03.043. [PMID: 20435422]
  • M Hermann, M Hendset, K Fosaas, M Hjerpset, H Refsum. Serum concentrations of venlafaxine and its metabolites O-desmethylvenlafaxine and N-desmethylvenlafaxine in heterozygous carriers of the CYP2D6*3, *4 or *5 allele. European journal of clinical pharmacology. 2008 May; 64(5):483-7. doi: 10.1007/s00228-007-0453-7. [PMID: 18214456]
  • Margareta Reis, Jöns Lundmark, Henrik Björk, Finn Bengtsson. Therapeutic drug monitoring of racemic venlafaxine and its main metabolites in an everyday clinical setting. Therapeutic drug monitoring. 2002 Aug; 24(4):545-53. doi: 10.1097/00007691-200208000-00014. [PMID: 12142641]