Atropine oxide

CAS Registry Number®

4438-22-6

CAS Name

Atropine oxide

Molecular Formula

C17H23NO4

Molecular Mass

305.37

Cite this Page

Atropine oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4438-22-6 (retrieved 2024-11-28) (CAS RN: 4438-22-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-128 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1/C17H23NO4/c1-18(21)13-7-8-14(18)10-15(9-13)22-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?,18?

InChIKey

InChIKey=HGWPFSBHDACWNL-LZYIFBDPNA-N

SMILES

CN1(=O)[C@]2(C[C@H](OC(C(CO)C3=CC=CC=C3)=O)C[C@@]1(CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2CCC(C1)N2(=O)C)C(C=3C=CC=CC3)CO

Other Names for this Substance

  • Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-oxido-8-azabicyclo[3.2.1]oct-3-yl ester, endo-
  • 1αH,5αH-Tropan-3α-ol (±)-tropate (ester), 8-oxide
  • Benzeneacetic acid, α-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(±)-, N-oxide
  • Atropine, N-oxide
  • Atropine oxide

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Deleted or Replaced CAS Registry Numbers

22885-71-8

CAS INSIGHTSTM
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