(-)-Scopolamine methobromide

CAS Registry Number®

155-41-9

CAS Name

(-)-Scopolamine methobromide

Molecular Formula

C18H24NO4.Br

Cite this Page

(-)-Scopolamine methobromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155-41-9 (retrieved 2024-11-21) (CAS RN: 155-41-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-217 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1

InChIKey

InChIKey=CXYRUNPLKGGUJF-RAFJPFSSSA-M

SMILES

C[N+]1(C)[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].[Br-]

Canonical SMILES

[Br-].O=C(OC1CC2C3OC3C(C1)[N+]2(C)C)C(C=4C=CC=CC4)CO

Other Names for this Substance

  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, bromide (1:1), (1α,2β,4β,5α,7β)-
  • 1αH,5αH-Tropanium, 6β,7β-epoxy-3α-hydroxy-8-methyl-, bromide, (-)-tropate
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, [7(S)-(1α,2β,4β,5α,7β)]-
  • N-Methylscopolammonium bromide
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, bromide, (1α,2β,4β,5α,7β)-

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Deleted or Replaced CAS Registry Numbers

1420-31-1, 2660-04-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration