Cocaethylene

CAS 529-38-4 MFCD00871900

化学结构图

529-38-4
SMILES: CCOC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C

化学属性

Mol. FormulaC18H23NO4
Mol. Weight317.42

别名和识别编码

Chemical Name8-Azabicyclo(3.2.1)octane-2-carboxylic acid,3-(benzoyloxy)-8-methyl-, ethyl ester,(1R-(exo,exo))-
CAS Number529-38-4
Synonym Cocaethylene Ethylcocaine Ethyl Benzoylecgonine Homococaine Ecgonine Ethyl Ester Benzoate (Ester) (1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Ethyl Ester Homocaine Cocethyline Cocaethyline Ethylbenzoylecgonine
Beilstein Registry Number6117763
PubChem Substance ID644006
InChIInChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
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分类

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

产品应用

  • Homolog of Cocaine (C633500). Anesthetic (local). High-affinity ligand for dopamine transporter; a metabolite of Cocaine when alcohol is concommitently abused.

相关文献及参考

  • ElSohly, M., et al.: J. Anal. Toxicol., 15, 46 (1991),
  • Hearn, W.L., et al.: J. Neurochem., 56, 698 (1991),

安全信息

Restrict 精神药品
RTECSCL5602980 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 60700 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PBBHAU Pharmacology, Biochemistry and Behavior.  (ANKHO International Inc.,
   P.O. Box 426, Fayetteville, NY 13066)  V.1-    1973-
   Volume(issue)/page/year: 39,531,1991

系列性分类

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