FC 117
2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide
Also Known As: FC 117|KST-1B2982|Piperidinium, 1-(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)-1-methyl-, bromide|1-(2-{[hydroxy(phenyl)thiophen-2-ylacetyl](methyl)amino}ethyl)-1-methylpiperidinium bromide|Piperidinium, 1-[2-[(hydroxyphenyl-2-thienylacetyl)methylamino]ethyl]-1-methyl-, bromide|1-(2-{[Hydroxy(phenyl)(thiophen-2-yl)acetyl](methyl)amino}ethyl)-1-methylpiperidin-1-ium bromide|1-{2-[2-Hydroxy-N-methyl-2-phenyl-2-(thiophen-2-yl)acetamido]ethyl}-1-methylpiperidin-1-ium bromide|2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide|2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide,bromide|Piperidinium,1-[2-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]methylamino]ethyl]-1-methyl-,bromide (1:1)
| Molecular Formula | C21H29BrN2O2S |
|---|---|
| Molecular Weight | 452.1133 g/mol |
| LogP | 0.0769 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.1133 |
| Monoisotopic Mass | 452.1133 |
| Heavy Atoms | 27 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 31374-18-2 |
|---|---|
| SMILES | CN(CC[N+]1(CCCCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-] |
| InChIKey | OJNCFUCHMPHGBE-UHFFFAOYSA-M |
Product Overview
FC 117 (CAS 31374-18-2), with molecular formula C21H29BrN2O2S and molecular weight 452.1133 g/mol. IUPAC: 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide.