Scopolamine, N-oxide

CAS Registry Number®

97-75-6

CAS Name

Scopolamine, N-oxide

Molecular Formula

C17H21NO5

Molecular Mass

319.35

Cite this Page

Scopolamine, N-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97-75-6 (retrieved 2024-11-22) (CAS RN: 97-75-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+,18?/m1/s1

InChIKey

InChIKey=GSYQNAMOFFWAPF-PPOBMCMBSA-N

SMILES

CN1(=O)[C@]2([C@@]3([C@@](O3)([C@@]1(C[C@H](OC([C@H](CO)C4=CC=CC=C4)=O)C2)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CC2C3OC3C(C1)N2(=O)C)C(C=4C=CC=CC4)CO

Other Names for this Substance

  • Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (αS)-
  • 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-, (-)-tropate (ester), 8-oxide
  • Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, N-oxide, [7(S)-(1α,2β,4β,5α,7β)]-
  • Scopolamine, N-oxide
  • 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, benzeneacetic acid deriv.

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