Cocaethylene

CAS Registry Number®

529-38-4

CAS Name

Cocaethylene

Molecular Formula

C18H23NO4

Molecular Mass

317.38

Cite this Page

Cocaethylene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=529-38-4 (retrieved 2024-11-24) (CAS RN: 529-38-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    109 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1

InChIKey

InChIKey=NMPOSNRHZIWLLL-XUWVNRHRSA-N

SMILES

O(C(=O)C1=CC=CC=C1)[C@@H]2[C@H](C(OCC)=O)[C@@]3(N(C)[C@](C2)(CC3)[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1C(=O)OCC)C=3C=CC=CC3

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R,2R,3S,5S)-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, [1R-(exo,exo)]-
  • Cocaethylene
  • Ethyl benzoylecgonine
  • Homocaine

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