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CAS 302-27-2

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Aconitine

Description:
Aconitine is a potent alkaloid derived from various species of the Aconitum plant, commonly known as monkshood or wolfsbane. It is classified as a bicyclic compound and is known for its complex structure, which includes a fused bicyclic system and a tertiary amine. Aconitine is characterized by its high toxicity, primarily affecting the cardiovascular and nervous systems. It acts as a sodium channel blocker, leading to symptoms such as arrhythmias, hypotension, and potentially fatal respiratory failure upon ingestion. The substance is typically found in the roots and tubers of Aconitum species and has been historically used in traditional medicine, although its use is highly restricted due to safety concerns. Aconitine is also notable for its lipophilicity, which allows it to easily cross biological membranes. Due to its toxic nature, handling aconitine requires caution, and it is subject to regulatory controls in many countries. Its chemical properties and biological effects make it a subject of interest in pharmacology and toxicology research.
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/t19?,20?,21?,22?,23?,24?,25?,26-,27+,28-,29?,31?,32-,33+,34-/m1/s1
InChI key:InChIKey=XFSBVAOIAHNAPC-NPVHKAFCSA-N
SMILES:O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(OC(C)=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:
  • (1Beta,3Alpha,5Xi,6Alpha,14Alpha,15Alpha,16Beta)-8-(Acetyloxy)-20-Ethyl-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
  • (3Alpha,6Alpha,14Alpha,15Alpha,16Beta)-8-(Acetyloxy)-20-Ethyl-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
  • (3Alpha,6Alpha,9Alpha,10Alpha,13Alpha,14Alpha,15Alpha,16Beta)-8-(Acetyloxy)-20-Ethyl-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine-4,8,9,11,11a(1H,7H)-pentol, 1-ethyldecahydro-6,10,13-trimethoxy-3-(methoxymethyl)-, 11a-acetate 8-benzoate
  • Acetylbenzoylaconine
  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-
  • Aconitin
  • Aconitina
  • Aconitine
  • See more synonyms
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