Benzoylmesaconine

Basic Information

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CAS Number

63238-67-5

Molecular Formula

C31H43NO10

Molecular Weight

589.67 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

Boiling Point

703.2±60.0℃ at 760 mmHg

Density

1.42

Solubility

Methanol,Ethanol,DMSO,Acetontrile,Water

SMILES

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COC[C@@]12CN(C)C3C4([C@@H]2[C@@H](OC)C3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC

InChI

InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20?,21+,22-,23?,24+,25-,26+,28+,29-,30?,31-/m1/s1

InChIKey

PULWZCUZNRVAHT-JQGYJHISSA-N

LogP

-0.3127999999999955

Topological Polar Surface Area

147.38 Å²

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

1090

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Benzoylmesaconine
(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-1,6,16-Trimethoxy-4-(methoxymethyl)-20-methylaconitane-3,8,13,14,15-pentol 14-benzoate
14-O-Benzoylmesaconine
8-Deacetylmesaconitine
Mesaconine 14-benzoate
O8-Deacetylmesaconitine
Bulleyaconitine A
Benzoylmesaconitine
[(2R,3R,4R,5R,6S,7S,8R,13R,14R,16S,17R,18R)-5,7,8,14-Tetrahydroxy-6,16,18-trimethoxy-13-(methoxymeth
14-O-Benzoylmesaconine,8-Deacetylmesaconitine,Mesaconine 14-benzoate,O8-Deacetylmesaconitine,Benzoyl...

MDL Number

MFCD01673475

FAQ

What regulatory guidelines apply to benzoylmesaconine (CAS: 63238-67-5)?

Benzoylmesaconine (CAS: 63238-67-5) falls under the scope of various regulatory guidelines, including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which mandates specific hazard communication and classification. In the European Union, it is subject to the Registration, Evaluation, Authorisation, and Restriction of Chemicals (REACH) regulation, which requires comprehensive safety data sheets and registration for substances above a certain tonnage threshold. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its handling and use, particularly in pharmaceutical and agricultural applications.

Are there alternatives to benzoylmesaconine (CAS: 63238-67-5) in synthesis?

Alternative reagents to benzoylmesaconine (CAS: 63238-67-5) in synthesis include compounds like mesaconic acid and its derivatives, as well as other benzoyl compounds. These alternatives can offer similar functionalities but with different reaction profiles. For instance, mesaconic acid can be used as a precursor to benzoylmesaconine through various synthetic routes, providing comparable results in many applications. However, the choice of alternative depends on the specific chemical requirements and the desired properties of the end product.

What is the market or research trend for benzoylmesaconine (CAS: 63238-67-5)?

The market for benzoylmesaconine (CAS: 63238-67-5) is currently experiencing growth due to its applications in pharmaceuticals and natural product chemistry. Research trends are focused on exploring its potential as a bioactive compound with anti-inflammatory and anti-microbial properties. Additionally, there is increasing interest in its use as a natural product precursor in the development of new drugs and agrochemicals. The market is expected to grow as more studies validate its biological activities and potential therapeutic uses.

How should waste containing benzoylmesaconine (CAS: 63238-67-5) be handled?

Waste containing benzoylmesaconine (CAS: 63238-67-5) should be managed in accordance with local and national regulations. Collection should be done in appropriate containers that are compatible with the chemical properties of the waste. Incineration or professional waste disposal services are recommended to ensure proper disposal. Environmental protection precautions include the use of personal protective equipment and adherence to safety protocols to prevent contamination and exposure. It is crucial to follow guidelines for hazardous waste handling to protect public health and the environment.