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
13006129
SMILES
CN1[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]1N2C

Names & Synonyms

  • cocaine
  • 3h-cocaine
  • (+)-Cocaine
  • (S)-Allopseudococaine
  • (+)-Allopseudococaine
  • SCHEMBL29407085
  • AKOS040734826
  • J373.265G
  • (1S,1alpha,5alpha)-3beta-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester
  • [1S,5R,(+)]-3beta-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester
  • METHYL (1S,2R,3S,5R)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE