Oxitropium bromide

CAS Registry Number®

30286-75-0
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CAS Name

Oxitropium bromide

Molecular Formula

C19H26NO4.Br

Cite this Page

Oxitropium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=30286-75-0 (retrieved 2024-04-20) (CAS RN: 30286-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    203-204 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H26NO4.BrH/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12;/h4-8,13-18,21H,3,9-11H2,1-2H3;1H/q+1;/p-1/t13-,14-,15-,16+,17-,18+,20-;/m1./s1

InChIKey

InChIKey=LCELQERNWLBPSY-HVOMDDQQSA-M

SMILES

C(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)CC)C(C=4C=CC=CC4)CO

Other Names for this Substance

  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-, bromide (1:1), (1α,2β,4β,5α,7β)-
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, bromide, [7(S)-(1α,2β,4β,5α,7β)]-
  • N-Ethylscopolammonium bromide
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-, bromide, (1α,2β,4β,5α,7β)-
  • N-Ethylnorscopolamine methyl bromide

View All

Deleted or Replaced CAS Registry Numbers

2019-63-8

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