Cocaine

• Formula: C₁₇H₂₁NO₅

• MW: 319.36

• SMILES String: COC(=O)[C@@H]1[C@H](O)C[C@H]2C[C@@H](C1OC(=O)c1ccccc1)N2C

• Synonyms: (-)Cocaine; (R)-Cocaine; 1alphaH,5alphaH-Tropane-2beta-carboxylic acid, 3beta-hydroxy-, methyl ester, benzoate (ester); 2alpha-Carbomethoxy-3beta-(benzoyloxy)tropane; 3beta-Hydroxy-2beta-tropanecarboxylic acid methyl ester benzoate (ester); 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2R,3S,5S)-; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(exo,exo)]-; Benzoylmethylecgonine; Cocaine; Ecgonine methyl ester benzoate (ester); l-Cocaine; Neurocaine

• CAS Reg. 50-36-2

• PubChem Substance Entry

• Common metabolism (KEGG)

• EAWAG-BBD reactions whose substrate is Cocaine
  • Cocaine -----> Ecgonine methyl ester + Benzoate (reacID# r1798)

Page Author(s): Jeffrey P. Osborne
November 08, 2013 Contact Us

This is the EAWAG-BBD compound, compID# c1565.
It was generated on June 20, 2025 at 7:03:23 PM CDT.

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