LU 5-046 hydrochloride
3-(1-methoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
| Molecular Formula | C17H26ClNO2S |
|---|---|
| Molecular Weight | 343.9 g/mol |
| Topological Polar Surface Area | 56.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.13727 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 26106-21-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)OC)C.[Cl-] |
| InChIKey | DXGSFENWLAEDCV-UHFFFAOYSA-N |
📖 Product Overview
LU 5-046 hydrochloride (CAS: 26106-21-8) is a chemical compound with molecular formula C17H26ClNO2S and molecular weight 343.9 g/mol. Its IUPAC systematic name is 3-(1-methoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride.
DXGSFENWLAEDCV-UHFFFAOYSA-N.
SMILES: CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)OC)C.[Cl-].
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