Ipratropium bromide

CAS Registry Number®

22254-24-6
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CAS Name

Ipratropium bromide

Molecular Formula

C20H30NO3.Br

Cite this Page

Ipratropium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22254-24-6 (retrieved 2021-12-06) (CAS RN: 22254-24-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?;

InChIKey

InChIKey=LHLMOSXCXGLMMN-WDTICOSONA-M

SMILES

C(C)(C)[N@+]1(C)[C@H]2C[C@H](OC(C(CO)C3=CC=CC=C3)=O)C[C@@H]1CC2.[Br-]

Canonical SMILES

[Br-].O=C(OC1CC2CCC(C1)[N+]2(C)C(C)C)C(C=3C=CC=CC3)CO

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide (1:1), (3-endo,8-syn)-
  • H,5αH-Tropanium, 3α-hydroxy-8-isopropyl-, bromide, (±)-tropate
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, (endo,syn)-(±)-
  • 8-Isopropylatropinium bromide
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, (3-endo,8-syn)-

Deleted or Replaced CAS Registry Numbers

58073-57-7, 197647-05-5