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CAS 466-24-0

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Benzoylaconine

Description:
Benzoylaconine is a chemical compound classified as an alkaloid, specifically derived from the plant Aconitum, commonly known as monkshood or wolfsbane. It is characterized by its complex structure, which includes a benzoyl group attached to an aconitine skeleton. This compound exhibits notable pharmacological properties, including analgesic and anti-inflammatory effects, which have drawn interest in medicinal chemistry. However, it is also important to note that benzoylaconine, like other aconitine derivatives, can be highly toxic and poses significant risks if ingested improperly. Its mechanism of action primarily involves the modulation of ion channels, particularly sodium channels, which can lead to various physiological effects. In terms of physical properties, benzoylaconine is typically a crystalline solid, and its solubility can vary depending on the solvent used. Due to its potential toxicity and the presence of other bioactive compounds in Aconitum species, handling and usage of benzoylaconine require caution and adherence to safety protocols.
Formula:C32H45NO10
InChI:InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26-,27+,29+,30-,31+,32-/m1/s1
InChI key:InChIKey=DHJXZSFKLJCHLH-BMTFSNIDSA-N
SMILES:O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(O)[C@@]6([C@]3(C[C@@](O)([C@@H]6OC(=O)C7=CC=CC=C7)[C@@H](OC)[C@@H]5O)[H])[H])[H])[H])[C@H](O)C1)[H]
Synonyms:
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.
  • 14-Benzoylaconine
  • 14-O-Benzoylaconine
  • Aconine 14-benzoate
  • Aconitane-3,8,13,14,15-Pentol, 20-Ethyl-1,6,16-Trimethoxy-4-(Methoxymethyl)-, 14-Benzoate, (1Alpha,3Alpha,6Alpha,14Alpha,15Alpha,16Beta)-
  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-
  • Benzaconine
  • Benzoylaconine
  • Isaconitine
  • Picraconitine
  • See more synonyms
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