Ecgonidine

CAS 484-93-5 MFCD06799367

化学结构图

484-93-5
SMILES: CN1[C@@H]2CC=C(C(=O)O)[C@H]1CC2

化学属性

Mol. FormulaC9H13NO2
Mol. Weight167.21

别名和识别编码

Chemical NameAnhydro Ecgonine
CAS Number484-93-5
Synonym (1R)-8-methyl-8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic Acid (1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic Acid (1S,5R)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene-2-carboxylic acid Anhydroecgonine Ecgonidine ecgonidine
PubChem Substance ID11564684
InChIInChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m1/s1
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分类

  • Heterocycles
  • Metabolites & Impurities
  • Neurochemicals
  • Pharmaceuticals
  • Intermediates & Fine Chemicals,

产品应用

  • An alkaloid related to Ecgonine and Cocaine ( (C633500). It is a metabolite of Methylecgonidine (a pylolytic product of cocaine) and is used as a biomarker for crack cocaine use.

相关文献及参考

  • Fandino, A. et al.: Chem. Res. Toxicol., 15, 1543 (2002); Scheidweiler, K.B. et al.: J. Pharmacol. Exp. Therap., 307, 1179 (2003); Paul, B. et al.: Biomed. Chrom., 19, 677 (2005);

系列性分类

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