Otilonium bromide

CAS Registry Number®

26095-59-0
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CAS Name

Otilonium bromide

Molecular Formula

C29H43N2O4.Br

Cite this Page

Otilonium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26095-59-0 (retrieved 2022-06-26) (CAS RN: 26095-59-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H

InChIKey

InChIKey=VWZPIJGXYWHBOW-UHFFFAOYSA-N

SMILES

O(CCCCCCCC)C1=C(C(NC2=CC=C(C(OCC[N+](CC)(CC)C)=O)C=C2)=O)C=CC=C1.[Br-]

Canonical SMILES

[Br-].O=C(OCC[N+](C)(CC)CC)C1=CC=C(C=C1)NC(=O)C=2C=CC=CC2OCCCCCCCC

Other Names for this Substance

  • Ethanaminium, N,N-diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]-, bromide (1:1)
  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, p-[o-(octyloxy)benzamido]benzoate
  • Ethanaminium, N,N-diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]-, bromide
  • Benzoic acid, p-[o-(octyloxy)benzamido]-, ester with diethyl(2-hydroxyethyl)methylammonium bromide
  • Otilonium bromide