Apoatropine

CAS Registry Number®

500-55-0

CAS Name

Apoatropine

Molecular Formula

C17H21NO2

Molecular Mass

271.35

Cite this Page

Apoatropine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=500-55-0 (retrieved 2024-11-25) (CAS RN: 500-55-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    62 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3/t14-,15+,16+

InChIKey

InChIKey=WPUIZWXOSDVQJU-ZSHCYNCHNA-N

SMILES

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

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C(=C)C=3C=CC=CC3

Other Names for this Substance

  • Benzeneacetic acid, α-methylene-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
  • Apoatropine
  • 1αH,5αH-Tropan-3α-ol, atropate (ester)
  • Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-
  • Atropamine

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Deleted or Replaced CAS Registry Numbers

78887-65-7

CAS INSIGHTSTM
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