10-Hydroxy Aconitine

Basic Information

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CAS Number

41849-35-8

Molecular Formula

C34H47NO12

Molecular Weight

661.74 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

Powder

Melting Point

198-200 ºC

Boiling Point

745.2°C at 760 mmHg

Flash Point

404.5°C

Refractive Index

1.626

SMILES

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CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4(CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC(=O)C)OC)OC)O)COC

InChI

InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3

InChIKey

GMSKTJVHWUUOMY-UHFFFAOYSA-N

LogP

-0.23699999999999566

Topological Polar Surface Area

173.67999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 13

Complexity

1260

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

(?)-(A-b)-8beta-acetoxy-14alpha-benzoyloxy-N-ethyl-3alpha,10beta,13beta,15alpha-tetrahydroxy-1alpha,6alpha,16beta,18-tetramethoxyaconitane
10-OH-aconitine
aconifine
10-Hydroxy aconitine
8beta-Acetoxy-14alpha-benzoyloxy-N-ethyl-3alpha,10beta,13beta,15alpha-tetrahydroxy-1alpha,6alpha,16beta-trimethoxy-4beta-(methoxymethylene)aconitane
Nagarine
Nagarine (C34 alkaloid)
[(1R,2S,3S,4R,5S,6S,7S,8S,9R,13R,14R,16S,17R,18R)-8-Acetyloxy-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18
CID 138399546
STL578237
[(1R,2S,4R,5R,6S,7S,8S,9R,10R,13R,14R,16S,18R)-8-acetyloxy-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-tr

MDL Number

MFCD01673462

FAQ

What regulatory guidelines apply to 10-Hydroxy Aconitine (CAS: 41849-35-8)?

10-Hydroxy Aconitine is subject to regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA requirements in the US. These guidelines cover classification, labeling, and safety data sheet (SDS) requirements, as well as restrictions on handling and disposal.

Are there alternatives to 10-Hydroxy Aconitine in synthesis?

There are several alternatives to 10-Hydroxy Aconitine in synthesis, including its analogs like 12-Hydroxy Aconitine and cis-10-Hydroxy Aconitine, and isomers. Common alternative reagents include other aconitine derivatives and natural products, which can serve as effective substitutes depending on the specific application.

What is the market or research trend for 10-Hydroxy Aconitine (CAS: 41849-35-8)?

The market and research trends for 10-Hydroxy Aconitine show growing interest in its potential medicinal applications, particularly in pain management and anti-cancer research. There is a focus on developing more targeted and safer formulations, driven by increasing demand and advances in synthetic chemistry and pharmacology.

How should waste containing 10-Hydroxy Aconitine (CAS: 41849-35-8) be handled?

Waste containing 10-Hydroxy Aconitine should be handled according to regulatory guidelines, such as GHS and REACH. It should be collected in appropriate containers, labeled with hazard warnings, and disposed of through professional waste disposal services. Environmental protection precautions include ensuring no direct release into the environment and proper incineration or chemical treatment to neutralize the compound.