LU 5-042 hydrochloride
3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
| Molecular Formula | C18H28ClNO2S |
|---|---|
| Molecular Weight | 357.9 g/mol |
| Topological Polar Surface Area | 56.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.15292 |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 26106-16-1 |
|---|---|
| SMILES | CCOC(=O)C1(C2=CC=CC=C2C(S1)(C)C)CCC[NH+](C)C.[Cl-] |
| InChIKey | CDCQMRSEXDFGDX-UHFFFAOYSA-N |
📖 Product Overview
LU 5-042 hydrochloride (CAS: 26106-16-1) is a chemical compound with molecular formula C18H28ClNO2S and molecular weight 357.9 g/mol. Its IUPAC systematic name is 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride.
CDCQMRSEXDFGDX-UHFFFAOYSA-N.
SMILES: CCOC(=O)C1(C2=CC=CC=C2C(S1)(C)C)CCC[NH+](C)C.[Cl-].
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