Sepantronium bromide
Properties
- Molecular formula
- C20H19BrN4O3
- Molar mass
- 443.30 g/mol
- Exact mass
- 442.0641 Da
- logP
- -1.65Crippen estimate
- Polar surface area
- 78.0 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 5
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
781661-94-7SMILES
COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]InChIKey
QBIYUDDJPRGKNJ-UHFFFAOYSA-MInChI
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-1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 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
- 11-(2-Methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho(2,3-d)imidazolium bromide
- 1-(2-Methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho(2,3-d)imidazolium bromide
- YM 155 monobromide
- [1-(2-Methoxyethyl)-2-methyl-4,9-dioxo-3- (pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho[2,3-d] imidazolium bromide]
Work with Sepantronium bromide
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds