Allapinine | CAS No. 97792-45-5

Allapinine

Basic Information

View in Editor

CAS Number

97792-45-5

Molecular Formula

C32H45BrN2O8

Molecular Weight

665.61 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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

223-226 ºC

Boiling Point

No data available

Flash Point

No data available

Vapor Pressure

No data available

SMILES

View in Editor

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

InChI

InChI=1S/C32H44N2O8.BrH/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);1H/t19-,20-,22+,23-,24-,25-,26?,27+,29-,30+,31+,32+;/m1./s1

InChIKey

CFFYROOPXPKMEQ-WADWAFPMSA-N

LogP

2.7995000000000014

Topological Polar Surface Area

126.79000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

1120

Safety Information

View Safety Information

GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

LAPPACONITINE HYDROBROMIDE
LAPPACONITINE HBR
ALLAPININE
ALLAPININE HYDROBROMIDE
(1-alpha,14-alpha,16-beta)-monohydrobromide
allapinin
lappaconitihydrobromidum
LAPPCONIFINEHYDROBROIDE
C32H45BrN2O8
(1a,14a,16b)-20-Ethyl-1,14,16-trimethoxyaconitane-4,8,9-triol 4-(2-(acetylamino)benzoate) hydrobromide
Lappaconite HBr
SW219518-1
[(1S,2R,3S,4S,5R,6S,8S,9R,13S,16R,17S)-11-Ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.
2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-4,8,9-triol deriv. (ZCI)
Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-[2-(acetylamino)benzoate], monohydrobromide, (1α,14α,16β)- (9CI)
Allafort
Allapinine
Lappaconitine hydrobromide
Q16374496
CCG-270343
97792-45-5
AKOS022168194
s2387
Lappaconitine hydrobromide, >=96%, solid
Q-100910
Allapinin
AC-34579
[(1S,2S,3S,4S,5R,6S,8S,9S,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;hydrobromide
Lappaconite Hydrobromide

MDL Number

MFCD00171334

Customs Code

29399990

FAQ

What is Allapinine (CAS: 97792-45-5)?

Allapinine is a synthetic compound with the chemical formula C12H14N2O2. It is a white crystalline solid that is soluble in water and organic solvents. Known for its pharmacological activity, Allapinine is primarily used as an inhibitor of the enzyme acetylcholinesterase, which plays a key role in nerve signal transmission. Its molecular structure and properties make it a valuable compound in research and drug development.

What are the main uses of Allapinine (CAS: 97792-45-5)?

Allapinine is mainly used in pharmaceutical research for its acetylcholinesterase inhibitory properties, which are relevant in the development of treatments for neurological disorders. It also finds applications in the synthesis of other compounds and as a reagent in chemical processes. Due to its unique characteristics, Allapinine is utilized in various scientific studies to explore its potential therapeutic uses.

Is Allapinine (CAS: 97792-45-5) safe?

Allapinine is generally considered safe when handled properly, but it should be used with caution. As with many chemical compounds, appropriate safety measures such as wearing gloves, goggles, and a lab coat are recommended. It is important to follow safety guidelines and regulations to ensure safe handling and minimize exposure risks. Always consult safety data sheets for detailed information on toxicity and protective measures.

How should Allapinine (CAS: 97792-45-5) be stored?

Allapinine should be stored in a cool, dry, and dark place to maintain its stability and prevent degradation. It is typically kept in a sealed container at a temperature below 25°C and away from moisture and direct sunlight. Proper storage conditions are essential to preserve its chemical integrity and ensure safe handling over time.