GXU

1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione

Created:2020-10-08
Last modified:  2021-04-21

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Chemical Details

Formal Charge1
Atom Count46
Chiral Atom Count0
Bond Count49
Aromatic Bond Count17
2D diagram of GXU
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Chemical Component Summary

Name1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione
Systematic Name (OpenEye OEToolkits)1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione
FormulaC20 H19 N4 O3
Molecular Weight363.39
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13
SMILESOpenEye OEToolkits2.0.7Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC
Canonical SMILESCACTVS3.385 COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC
InChIInChI1.03 InChI=1S/C20H19N4O3/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/q+1
InChIKeyInChI1.03 OTSOOHRUMBRSHZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB17062 
NameSepantronium
Groups investigational
DescriptionSepantronium is a compound that suppresses survivin expression in a dose and time-dependent manner, and causes broad-range apoptosis.[A253167]
Synonyms
  • Sepantronium bromide
  • Sepantronium ion
  • Sepantronium
  • Sepantronium cation
  • 1h-naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-
Categories
  • Naphthalenes
  • Quinones
CAS number753440-91-4

Related Resource References

Resource NameReference
PubChem 10126189
ChEMBL CHEMBL2110734
ChEBI CHEBI:94552