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CAS 509-16-0

:

(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

Description:
The chemical substance with the name "(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol" and CAS number 509-16-0 is known as Aconitine. Aconitine is an alkaloid derived from the plant Aconitum, commonly known as monkshood or wolfsbane. This compound exhibits a complex structure characterized by multiple methoxy groups and a unique bicyclic framework. Aconitine is recognized for its potent pharmacological effects, particularly its ability to affect the nervous system, leading to both analgesic and toxic properties. It interacts with voltage-gated sodium channels, which can result in significant physiological effects, including cardiovascular and neurological disturbances. Due to its toxicity, aconitine must be handled with caution, and its use is primarily restricted to research settings or specific medicinal applications under strict regulations. The compound's intricate structure and biological activity make it a subject of interest in pharmacology and toxicology studies.
Formula:C36H51N3O10
InChI:InChI=1S/C36H51N3O10/c1-6-39-17-33(18-49-31(42)19-9-7-8-10-22(19)38-26(41)12-11-25(37)40)14-13-24(46-3)35-21-15-20-23(45-2)16-34(43,27(21)28(20)47-4)36(44,32(35)39)30(48-5)29(33)35/h7-10,20-21,23-24,27-30,32,43-44H,6,11-18H2,1-5H3,(H2,37,40)(H,38,41)/t20-,21-,23+,24+,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1
InChI key:InChIKey=ZBALYAJAWGGUCX-JEUORDJTSA-N
SMILES:O(C)[C@@H]1[C@@]23[C@]4([C@](COC(=O)C5=C(NC(CCC(N)=O)=O)C=CC=C5)(CN(CC)[C@@]2([C@](O)([C@H]4OC)[C@]6(O)[C@@]7([C@]3(C[C@@]([C@@H]7OC)([C@@H](OC)C6)[H])[H])[H])[H])CC1)[H]
Synonyms:
  • Avadcharidine
  • (1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
  • Aconitane-7,8-diol, 4-[[[2-[(4-amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxy-, (1α,6β,14α,16β)-
  • (+)-Avadharidine
  • Avadharidine
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