5-Mercaptovaleryl carnitine chloride
[(2R)-3-carboxy-2-(5-sulfanylpentanoyloxy)propyl]-trimethylazanium chloride
Also Known As: 5-Mercaptovaleryl carnitine chloride|(R)-3-Carboxy-2-((5-mercapto-1-oxopentyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride|1-Propanaminium, 3-carboxy-2-((5-mercapto-1-oxopentyl)oxy)-N,N,N-trimethyl-, chloride, (R)-|[(2R)-4-hydroxy-4-oxo-2-(5-sulfanylpentanoyloxy)butyl]-trimethylazanium chloride
CAS: 83544-86-9
| Molecular Formula | C12H24ClNO4S |
|---|---|
| Molecular Weight | 313.11145 g/mol |
| LogP | -1.8168 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 313.11145 |
| Monoisotopic Mass | 313.11145 |
| Heavy Atoms | 19 |
| Complexity | 281.3932 |
Chemical Identifiers
| CAS Number | 83544-86-9 |
|---|---|
| SMILES | C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCCS.[Cl-] |
Product Overview
5-Mercaptovaleryl carnitine chloride (CAS 83544-86-9), with molecular formula C12H24ClNO4S and molecular weight 313.11145 g/mol. IUPAC: [(2R)-3-carboxy-2-(5-sulfanylpentanoyloxy)propyl]-trimethylazanium chloride.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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