Lappaconitine | CAS No. 32854-75-4

Lappaconitine

Basic Information

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CAS Number

32854-75-4

Molecular Formula

C32H44N2O8

Molecular Weight

584.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Cryst.

Melting Point

217-218°

Boiling Point

641.72°C (rough estimate)

Solubility

Methanol

Refractive Index

1.6260 (estimate)

Specific Rotation

D18 +27° (chloroform)

SMILES

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CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5(C6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C

InChI

InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+/m1/s1

InChIKey

NWBWCXBPKTTZNQ-LGHJKAGDSA-N

LogP

2.2216000000000005

Topological Polar Surface Area

126.79000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

1120

Safety Information

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Storage Conditions

-20℃

Toxicity

LD50 in mice (mg/kg): 6.9 i.v.; 9.1 i.p.; approx 20 orally (Dybing)

Synonyms & References

English

AC-34229
[(1S,2S,3S,4S,5R,6S,8S,9R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
lappaconitine
SCHEMBL20024553
Q-100405
Lannaconitine
PD087311
(+)-Lappaconitine
1ST2878
CHEMBL2296176
32854-75-4
Lappaconitine
,(1-alpha,14-alpha,16-beta)-
8,9-triol,20-ethyl-1,14,16-trimethoxy-aconitane-4-(2-acetylamino)benzoate)
acetyl-10-deoxysepaconitine
(1a,14a,16b)-20-Ethyl-1,14,16-trimethoxyaconitane-4,8,9-triol 4-(2-acetylamino)benzoate)
(1α,14α,16β)-20-Ethyl-1,14,16-trimethoxyaconitane-
4,8,9-triol4-[2-(acetylamino)benzoate]
Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-acetylamino)benzoate, (1-alpha,14-alpha,16-beta)
LAPPACONITINE(P)
Aconitum kusnezoffii Reichb
lappaconintine
N-Acetylpuberanidine
(3S,6S,6aS,7S,7aS,8S,9R,10S,11aS,12S,12aR,14S)-1-ethyl-7a,11a-dihydroxy-6,8,10-trimethoxydodecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-3(4H)-yl 2-acetamidobenzoate
(+)-Lappaconitine,Acetyl-10-deoxysepaconitine

MDL Number

MFCD03424256

FAQ

What is Lappaconitine (CAS: 32854-75-4)?

Lappaconitine is a naturally occurring alkaloid derived from the plant genus *Aconitum*. It has the chemical formula C17H27NO4 and is known for its potent biological activity. This compound is a diterpenoid and exhibits strong pharmacological properties, including analgesic and neurotoxic effects. Lappaconitine is also referred to as (3R,11R,14R)-11,14-dihydroxy-3,17-dimethoxy-12-methyl-15-(3-methylbut-2-en-1-yloxy)tetradecan-1-amine.

What are the main uses of Lappaconitine (CAS: 32854-75-4)?

Lappaconitine is primarily used in pharmaceutical research for its potential analgesic and anti-inflammatory properties. It is also studied for its role in neuropharmacology and may have applications in developing new pain management therapies. Due to its toxicity, it is not widely used in clinical settings but remains an important compound in scientific investigations and drug development processes.

Is Lappaconitine (CAS: 32854-75-4) safe?

Lappaconitine is toxic and requires careful handling. It can cause severe effects such as respiratory depression, cardiovascular issues, and neurological damage. Safety standards emphasize the need for protective equipment and controlled environments when working with this compound. Its use is restricted in many regions due to health risks and potential for misuse.

How should Lappaconitine (CAS: 32854-75-4) be stored?

Lappaconitine should be stored in a cool, dry place away from light. It is best kept in airtight containers at a temperature below 25°C and humidity levels under 60%. Due to its chemical stability, it does not require refrigeration, but proper storage conditions are essential to maintain potency and prevent degradation.