| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Source | Plant — Compositae Senecio latifolius DC. |
| Molecular weight | |
| Molecular formula | C18H26ClNO7 |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Merenskine N-oxide is a jacobine-like, chlorinated 1,2-unsaturated pyrrolizidine alkaloid N-oxide bearing a hydroxyl group at the α-position. It has a halohydrin side-chain configuration and can serve as a substrate for epoxidation reactions; its transfer rate into black tea leachate is pH-dependent and decreases markedly under alkaline conditions[1][2][3].
It has the molecular formula C18H26ClNO7 and a molecular weight of 403.85 g/mol.
Physical & Chemical Properties
| CAS Number | 96657-95-3 |
|---|---|
| Molecular Formula | C18H26ClNO7 |
| Molecular Weight | 403.85 g/mol |
| Structure Classification | Alkaloids Pyrrole Alkaloids |
| SMILES | O=C(OC(CC1)[C@]2([H])[N+]1([O-])CC=C2CO3)[C@@](O)(CCl)[C@H](C)[C@@H](C)[C@](O)(C)C3=O |
| Initial Source | Plant — Compositae Senecio latifolius DC. |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
[1]. Cheng D, et al. The correlation between leaf-surface and leaf-tissue secondary metabolites: A case study with pyrrolizidine alkaloids in Jacobaea hybrid plants[J]. Metabolomics, 2017, 13(5): 47.
[2]. Kaltner F, et al. Structural modifications of certain pyrrolizidine alkaloids during sample extraction and its impact on analytical results[J]. Food Analytical Methods, 2025, 18(6): 911-921.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
In Vitro
In an aqueous solvent matrix, Merenskine N-oxide (100 ng/mL; 50 °C) is epoxidized to Merepoxine N-oxide, with a conversion yield of 40% to 87%[2]. Transfer of Merenskine N-oxide (2.5 ng/mL; 5 min) into black tea infusions depends on pH: the transfer rate falls to 3% at pH 9 and is higher under acidic conditions[3].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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