Buscopan

CAS Registry Number®

149-64-4
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CAS Name

Buscopan

Molecular Formula

C21H30NO4.Br

Cite this Page

Buscopan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=149-64-4 (retrieved 2024-04-20) (CAS RN: 149-64-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15-,16-,17-,18+,19-,20+,22?;/m1./s1

InChIKey

InChIKey=HOZOZZFCZRXYEK-GSWUYBTGSA-M

SMILES

C(CCC)[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)CCCC)C(C=4C=CC=CC4)CO

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

127420-71-7, 22626-85-3, 38533-48-1, 53832-48-7

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