Benzoylhypacoitine

Basic Information

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CAS Number

63238-66-4

Molecular Formula

C31H43NO9

Molecular Weight

573.67 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

Density

1.37±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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COC[C@]12CC[C@@H](C34[C@@H]2[C@@H](OC)C(C3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)O)OC

InChI

InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18+,19-,20?,21+,22-,23?,24+,25-,26+,28+,29-,30?,31-/m1/s1

InChIKey

MDFCJNFOINXVSU-LUOWNJJZSA-N

LogP

0.7164000000000021

Topological Polar Surface Area

127.15000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

1050

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Benzoylhypacoitine
Benzoylhypaconine
1,4-Bis(2-methylstyryl)benzene
Benzoylhypaconitine
Benzoylmesaconine
[(1S,2R,3R,4R,5R,6S,7S,8R,10R,13S,16S,17R,18R)-5,7,8-Trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl
Hypaconine 14-benzoate

MDL Number

MFCD01673481

FAQ

What is Benzoylhypacoitine (CAS: 63238-66-4)?

Benzoylhypacoitine is a chemical compound with the CAS number 63238-66-4. It is a derivative of hypacoitine and has a molecular structure that includes a benzoyl group attached to the hypacoitine scaffold. This compound is primarily studied for its potential biological activities and is used in research settings to investigate its effects on various biological processes.

What are the main uses of Benzoylhypacoitine (CAS: 63238-66-4)?

Benzoylhypacoitine (CAS: 63238-66-4) is mainly used in research for its biological activity studies. It is also studied for potential pharmaceutical applications and as a tool compound in the development of new drugs. Its use in industrial applications is limited to research and development due to its specialized nature.

Is Benzoylhypacoitine (CAS: 63238-66-4) safe?

Benzoylhypacoitine (CAS: 63238-66-4) is generally considered safe when handled with proper precautions. However, it should be used in a well-ventilated area and with appropriate personal protective equipment (PPE) such as gloves and goggles. Users should avoid contact with skin and eyes and ensure proper disposal of waste materials.

How should Benzoylhypacoitine (CAS: 63238-66-4) be stored?

Benzoylhypacoitine (CAS: 63238-66-4) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent moisture and air exposure. The storage temperature should be maintained below 25°C (77°F) to ensure stability and safety.