Akonitin

Aconitine A C19 norditerpenoid alkaloid (DITERPENES) from the root of ACONITUM plants. It activates voltage-gated SODIUM CHANNELS. It has been used to induce ARRHYTHMIA in experimental animals and it has antiinflammatory and antineuralgic properties.

[1. The exceedingly poisonous active principle (diterpene alkaloid) of Aconitum sp. and Delphinium sp., formerly used as a cardiac sedative and applied externally for neuralgia.

Molecular Formula: C₃₄H₄₇NO₁₁

InChI: InChI=1/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19u,20?,21?,22?,23u,24?,25u,26-,27+,28-,29?,31u,32-,33+,34-/m1/s1

InChIKey: InChIKey=XFSBVAOIAHNAPC-WLAJSKABBW
SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC

Names:
    Aconitine (Crystalline)
    Aconitin
    aconitine
    Aconitinum
    Aconitin cristallisat [German]
    Aconitysat
    Akonitin
    EINECS 206-121-7
    NSC 56464
    302-27-2

Registries:
    PubChem CID 11969475
    PubChem ID 152527