Chemical Compound

Cocaine N-Oxide

CAS Registry Number 72182-46-8
Cocaine N-Oxide chemical structure
Primary Record

Cocaine N-Oxide

In stock
8,487 g
Purity
98.9 %
CAS
72182-46-8

Compound Identifiers & Properties

CAS
72182-46-8
PubChem CID
71314970
SMILES
C[N@@+]1([C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC)[O-]
Canonical SMILES
COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[N@@+]2(C)[O-]

Names & Synonyms

  • Cocaine N-Oxide
  • ZINC255967631
  • (1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester 8-Oxide
  • [1R-(exo,exo)]-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester 8-Oxide
  • 72182-46-8