Aconitine

Alternative_name

(1α,3α,6α,14α,15α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol 8-acetate 14-benzoate; Acetylbenzoylaconine
Description

Aconitine is diterpene alkaloid derived from the tubers of aconitinum plants. It is a neurotoxin that opens TTX(tetrodotoxin)-sensitive Na⁺ channels in the heart and other tissues, and is used for creating models of cardiac arrhythmia. Aconitine was previously used as an antipyretic and analgesic, and still has some limited application in herbal medicine.
CAS Number

302-27-2
Structure Available

Yes
Salt Form

No
Molecular Formula

C₃₄H₄₇NO₁₁
Molecular Weight

645.75
Cell Permeable

Yes
Purity

≥98% by HPLC
Solubilities

EtOH (~ 35 mg/ml) or H₂O (~0.3 mg/ml)
Handling

Protect from light and air
Tag Line

Sodium channel opener
Storage Condition

-20 ̊C
Shipping Condition

gel pack
Shelf Life

36 months
MDL Number

MFCD00082375
PubChem CID

245005
PubChem CID Link
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
InChi

InChI=1S/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/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1
InChi Key

XFSBVAOIAHNAPC-XTHSEXKGSA-N
Data Sheet Link
MSDS Available

Yes