Aconitine | 2423

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.

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.

2423 | Aconitine DataSheet

Alternate Name/Synonyms: (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

Appearance: White to off-white solid

Formulation: N/A

CAS Number: 302-27-2

Structure Available?: Yes

Peptide sequence: N/A

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

Country of Origin: USA

Tag Line: Sodium channel opener

MDL Number: MFCD00082375

PubChem CID: 245005

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