Sepantronium bromide

CAS Registry Number®

781661-94-7
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CAS Name

Sepantronium bromide

Molecular Formula

C20H19N4O3.Br

Cite this Page

Sepantronium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=781661-94-7 (retrieved 2024-03-02) (CAS RN: 781661-94-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H19N4O3.BrH/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25;/h3-8,11H,9-10,12H2,1-2H3;1H/q+1;/p-1

InChIKey

InChIKey=QBIYUDDJPRGKNJ-UHFFFAOYSA-M

SMILES

C([N+]=1C2=C(N(CCOC)C1C)C(=O)C=3C(C2=O)=CC=CC3)C=4C=NC=CN4.[Br-]

Canonical SMILES

[Br-].O=C1C=2C=CC=CC2C(=O)C3=C1N(C(=[N+]3CC4=NC=CN=C4)C)CCOC

Other Names for this Substance

  • 1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-, bromide (1:1)
  • 1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazinylmethyl)-, bromide
  • YM 155
  • Sepantronium bromide
  • 11-(2-Methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho(2,3-d)imidazolium bromide

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