CAS 3175-95-9: Deoxyaconitine
Description:Deoxyaconitine is a potent alkaloid derived from the plant Aconitum, commonly known as monkshood or wolfsbane. It is classified as a bicyclic compound and is part of the larger family of aconitine alkaloids, which are known for their neurotoxic properties. Deoxyaconitine exhibits a complex molecular structure characterized by multiple rings and functional groups, contributing to its biological activity. The substance is primarily recognized for its effects on the nervous system, where it can act as a sodium channel blocker, leading to potential applications in pharmacology, albeit with significant toxicity risks. Its use is highly regulated due to its potential for causing severe poisoning and its narrow therapeutic window. In terms of physical properties, deoxyaconitine is typically a crystalline solid, and it is soluble in organic solvents but has limited solubility in water. Safety precautions are essential when handling this compound, as it can pose serious health risks if ingested or improperly managed.
Formula:C34H47NO10
InChI:InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/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=PHASMOUKYDUAOZ-YNOWHOKFSA-N
SMILES:O=C(OC1C2C3CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6)C=7C=CC=CC7
- Synonyms:
- 3-Deoxyaconitine
- Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)-
- Deoxyaconitine
- Deoxyaconitine, 3-
