Chemical Compound

cocaine

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cocaine chemical structure
Primary Record

cocaine

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
21635054
SMILES
C[NH+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
Canonical SMILES
COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[NH+]2C

Names & Synonyms

  • cocaine
  • cocaine cation
  • cocaine(1+)
  • 2pgz
  • RefChem:6529
  • CHEBI:60056
  • Q27127042
  • (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo(3.2.1)octane
  • (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane
  • methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate