Umeclidinium bromide

CAS Registry Number®

869113-09-7
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CAS Name

Umeclidinium bromide

Molecular Formula

C29H34NO2.Br

Cite this Page

Umeclidinium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=869113-09-7 (retrieved 2021-09-18) (CAS RN: 869113-09-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1

InChIKey

InChIKey=PEJHHXHHNGORMP-UHFFFAOYSA-M

SMILES

C(O)(C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Canonical SMILES

[Br-].OC(C=1C=CC=CC1)(C=2C=CC=CC2)C34CC[N+](CCOCC=5C=CC=CC5)(CC3)CC4

Other Names for this Substance

  • 1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-, bromide (1:1)
  • 1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-, bromide
  • 4-(Hydroxydiphenylmethyl)-1-[2-[(phenylmethyl)oxy]ethyl]-1-azabicyclo[2.2.2]octanium bromide
  • 4-[Hydroxy(diphenyl)methyl]-1-[2-[(phenylmethyl)oxy]ethyl]-1-azoniabicyclo[2.2.2]octane bromide
  • Umeclidinium bromide