2D Structure
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2D chemical structural formula diagram.

3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.

Check the Methyllycaconitine citrate (MLA) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

CAS Number 112825-05-5
Molecular Formula

C43H58N2O17

Molecular Weight (MW) 874.92
SMILES CO[C@@H]1C(C(N(CC)C2)C3(O)[C@H]4OC)([C@@](C[C@@]5([H])[C@@H]6OC)([H])[C@@]6([H])[C@@]3(C[C@@H]5OC)O)[C@@]4([H])[C@@]2(COC(C7=C(N(C8=O)C(C[C@@H]8C)=O)C=CC=C7)=O)CC1.O=C(CC(C(O)=O)(O)CC(O)=O)O

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Note: Technical data last updated: Sep 1, 2026.