METHYLLYCACONITINE CITRATE MLA:SYNTHETIC

Molecule structure of Methyllycaconitine (CAS NO.21019-30-7) :

Molecular Weight: 682.8003 g/mol
Molecular Formula: C₃₇H₅₀N₂O₁₀ 
Density: 1.37 g/cm³ 
Boiling Point: 804.8 °C at 760 mmHg 
Flash Point: 440.5 °C
Index of Refraction: 1.626
Molar Refractivity: 175.7 cm³
Molar Volume: 496.2 cm³
Polarizability: 69.65*10^-24 cm³
Surface Tension: 64.4 dyne/cm 
Enthalpy of Vaporization: 122.7 kJ/mol
Vapour Pressure: 2.39E-27 mmHg at 25 °C 
Storage Temp.: −20 °C
Solubility: H₂O: 42 mg/mL
XLogP3-AA: 1
H-Bond Donor: 2
H-Bond Acceptor: 11
Rotatable Bond Count: 10
Tautomer Count: 4
Exact Mass: 682.346546
MonoIsotopic Mass: 682.346546
Topological Polar Surface Area: 144
Heavy Atom Count: 49
Complexity: 1380
Defined Atom StereoCenter Count: 12
Undefined Atom StereoCenter Count: 2 
Canonical SMILES: CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C
Isomeric SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C
InChIKey: XLTANAWLDBYGFU-ACDIZPBGSA-N
Product Categories: Acetylcholine receptor

A poison by subcutaneous amd intravenous routes. When heated to decomposition it emits toxic vapors of NO_x.
WGK Germany: 3

 Methyllycaconitine (CAS NO.21019-30-7) is also called  4-21-00-04589 (Beilstein Handbook Reference) ; BRN 0076234 ; Delartine ; Delsemidine ; Lycaconitine, methyl- ; Aconitane-7,8-diol, 20-ethyl-1,6,14,16-tetramethoxy-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-, (1alpha,4(S),6beta,14alpha,16beta)- ; Aconitane-7,8-diol, 20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,14,16-tetramethoxy-, (1-alpha,4(S),6-beta,14-alpha,16-beta)- . Methyllycaconitine (CAS NO.21019-30-7) is white solid. Methyllycaconitine (CAS NO.21019-30-7) is high toxic. It is flammable by fire, heat and oxidants. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Methyllycaconitine (CAS NO.21019-30-7) separate from raw materials of food. Methyllycaconitine (MLA) is a plant alkaloid found in the larkspur, and has been identified as an antagonist of nicotinic acetylcholine receptors (nAChrs) in the muscle and brain. It is one of many alkaloids found in the larkspur, but is believed to be one of the major culprits in the poisoning of livestock in the Western United States.