Cimetropium bromide

CAS Registry Number®

51598-60-8
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CAS Name

Cimetropium bromide

Molecular Formula

C21H28NO4.Br

Cite this Page

Cimetropium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51598-60-8 (retrieved 2022-08-17) (CAS RN: 51598-60-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    174 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H28NO4.BrH/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14;/h2-6,13,15-20,23H,7-12H2,1H3;1H/q+1;/p-1/t15-,16-,17-,18+,19-,20+,22?;/m1./s1

InChIKey

InChIKey=WDURTRGFUGAJHA-GSWUYBTGSA-M

SMILES

C([N+]1(C)[C@H]2[C@@]3([C@@](O3)([C@@H]1C[C@H](OC([C@H](CO)C4=CC=CC=C4)=O)C2)[H])[H])C5CC5.[Br-]

Canonical SMILES

[Br-].O=C(OC1CC2C3OC3C(C1)[N+]2(C)CC4CC4)C(C=5C=CC=CC5)CO

Other Names for this Substance

  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-(cyclopropylmethyl)-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-(cyclopropylmethyl)-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, bromide, [7(S)-(1α,2β,4β,5α,7β)]-
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-(cyclopropylmethyl)-7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-, bromide, (1α,2β,4β,5α,7β)-
  • 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, 3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane deriv.
  • DA 3177