CAS 4491-19-4: Indaconitine
Description:Indaconitine, with the CAS number 4491-19-4, is a chemical compound classified as an alkaloid derived from the plant genus Aconitum, commonly known as monkshood or wolfsbane. This substance is characterized by its complex molecular structure, which includes multiple rings and functional groups typical of alkaloids. Indaconitine exhibits potent pharmacological properties, particularly as a neurotoxin, affecting the nervous system by blocking sodium channels, which can lead to significant physiological effects. It is known for its potential use in traditional medicine, although its toxicity poses serious risks, including respiratory failure and cardiac complications. Due to its hazardous nature, indaconitine is handled with caution in laboratory and clinical settings. Its solubility in organic solvents and limited solubility in water are notable physical properties, influencing its behavior in biological systems. Research continues to explore its mechanisms of action and potential therapeutic applications, while also emphasizing the importance of safety and toxicity management when dealing with such compounds.
Formula:C34H47NO10
InChI:InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29-,31+,32+,33-,34+/m1/s1
InChI key:InChIKey=PHDZNMWTZQPAEW-IOZYTHHVSA-N
SMILES:O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6O)C=7C=CC=CC7
- Synonyms:
- (3Alpha,6Alpha,14Alpha,16Beta)-8-(Acetyloxy)-20-Ethyl-3,13-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
- 15-Deoxyaconitine
- 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14-tetrol deriv.
- Acetylbenzoylpseudaconine
- Acetylbenzoylpseudoaconine
- Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,3α,6α,14α,16β)-
- Indaconitine
