ChemSpider 2D Image | Cocaine hydrochloride | C17H22ClNO4

Cocaine hydrochloride

  • Molecular FormulaC17H22ClNO4
  • Average mass339.814 Da
  • Monoisotopic mass339.123749 Da
  • ChemSpider ID571113

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(-)-Cocaine hydrochloride
(1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester Hydrochloride
(1R,2R,3S,5S,8R)-3-(Benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octanchlorid [German] [ACD/IUPAC Name]
(1R,2R,3S,5S,8R)-3-(Benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chloride [ACD/IUPAC Name]
[1R-(exo,exo)]-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester Hydrochloride
200-167-1 [EINECS]
3b-Hydroxy-1aH,5aH-tropane-2b-carboxylic Acid Methyl Ester Benzoate (Ester) Hydrochloride
53-21-4 [RN]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2R,3S,5S,8R)-, hydrochloride (1:1) [ACD/Index Name]
Chlorure de (1R,2R,3S,5S,8R)-3-(benzoyloxy)-2-(méthoxycarbonyl)-8-méthyl-8-azoniabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MCV 4526 [DBID]
NIH 8211 [DBID]
XH8T8T6WZH [DBID]
YM3050000 [DBID]
4302866 [DBID]
BMS 863233 | [DBID]
D02182 [DBID]
NSC 25263 [DBID]
UN1544 [DBID]
UNII:XH8T8T6WZH [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      The hydrochloride salt of cocaine. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central ne rvous system effects similar to the amphetamines and is a drug of abuse. ChEBI CHEBI:613010, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:613010

    • Bio Activity:

      Competitive inhibitor of monoamine neurotransmitter transporters. Inhibits dopamine (DAT), serotonin (SERT) and noradrenalin (NET) transporters with Ki values are 267, 392 and 872 nM respectively. Psy chostimulant. Tocris Bioscience 2833
      Competitive inhibitor of monoamine neurotransmitter transporters. Inhibits dopamine (DAT), serotonin (SERT) and noradrenalin (NET) transporters with Ki values are 267, 392 and 872 nM respectively. Psychostimulant. Tocris Bioscience 2833
      Dopamine Transporters Tocris Bioscience 2833
      Inhibitor of monoamine transporters Tocris Bioscience 2833
      Neurotransmitter Transporters Tocris Bioscience 2833
      Transporters Tocris Bioscience 2833

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


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