(-)-Cocaine hydrochloride

CAS Registry Number®

53-21-4

CAS Name

(-)-Cocaine hydrochloride

Molecular Formula

C17H21NO4.ClH

Cite this Page

(-)-Cocaine hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53-21-4 (retrieved 2024-11-27) (CAS RN: 53-21-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    290 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1

InChIKey

InChIKey=PIQVDUKEQYOJNR-VZXSFKIWSA-N

SMILES

C(OC)(=O)[C@@H]1[C@@]2(N(C)[C@](C[C@@H]1OC(=O)C3=CC=CC=C3)(CC2)[H])[H].Cl

Canonical SMILES

Cl.O=C(OC1CC2N(C)C(CC2)C1C(=O)OC)C=3C=CC=CC3

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride (1:1), (1R,2R,3S,5S)-
  • 1αH,5αH-Tropane-2β-carboxylic acid, 3β-hydroxy-, methyl ester, benzoate (ester), hydrochloride
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, [1R-(exo,exo)]-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, (1R,2R,3S,5S)-
  • Cocaine hydrochloride

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Deleted or Replaced CAS Registry Numbers

16205-09-7

CAS INSIGHTSTM
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