3-Ahbstp chloride
3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylazanium chloride
Also Known As: 3-Ahbstp chloride|3-((3-(Acetyloxy)-4-(hexadecyloxy)butyl)sulfonyl)-N,N,N-trimethyl-1-propanaminium|3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylazanium;chloride|3-{[3-(acetyloxy)-4-(hexadecyloxy)butyl]sulfonyl}-n,n,n-trimethylpropan-1-aminium chloride|3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylazanium chloride|1-Propanaminium, 3-((3-(acetyloxy)-4-(hexadecyloxy)butyl)sulfonyl)-N,N,N-trimethyl-, chloride|3-[3-(Acetyloxy)-4-(hexadecyloxy)butane-1-sulfonyl]-N,N,N-trimethylpropan-1-aminium chloride
| Molecular Formula | C28H58ClNO5S |
|---|---|
| Molecular Weight | 555.37244 g/mol |
| LogP | 3.3212 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 555.37244 |
| Monoisotopic Mass | 555.37244 |
| Heavy Atoms | 36 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 4939-06-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOCC(CCS(=O)(=O)CCC[N+](C)(C)C)OC(=O)C.[Cl-] |
| InChIKey | FUEODCSUYXPQNW-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ahbstp chloride (CAS 4939-06-4), with molecular formula C28H58ClNO5S and molecular weight 555.37244 g/mol. IUPAC: 3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylazanium chloride.
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