Methyl (5alpha,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate

Basic Information

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CAS Number

4429-63-4

Molecular Formula

C21H24N2O2

Molecular Weight

336.44 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

Basic Physical Properties

Physical State

Yellow powder

Melting Point

219-225°C

Boiling Point

488.7°C at 760 mmHg

Density

1.27

Flash Point

249.4 °C

Refractive Index

1.651

SMILES

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CC[C@@]12CC(C(=O)OC)=C3NC4=CC=CC=C4[C@@]33CCN(CC=C1)[C@@H]23

InChI

InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21+/m0/s1

InChIKey

FNGGIPWAZSFKCN-PCCBWWKXSA-N

LogP

3.2212000000000014

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

669

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Tabersonine
Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, (5alpha,12beta,19alpha)-
(-)-Tabersonine
TABERSONINE(AS)
Tabersonine Hydrochloride
Tabersonine, hydrochloride
8273AH

MDL Number

MFCD28140545

FAQ

What is Methyl (5alpha,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate (CAS: 4429-63-4)?

Methyl (5alpha,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate (CAS: 4429-63-4) is a synthetic compound derived from aspidospermidine. It has the chemical formula C16H23NO5 and is known for its complex structure, which includes a tetrahydroisoquinoline ring and a carboxylate group. This compound is often studied for its biological activities and potential applications in medicinal chemistry.

What are the main uses of Methyl (5alpha,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate (CAS: 4429-63-4)?

Methyl (5alpha,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate (CAS: 4429-63-4) is primarily used in pharmaceutical research for its potential as a bioactive molecule. It is also employed in the synthesis of various alkaloids and as a precursor in the development of drugs targeting specific biological pathways. Its applications may extend to medicinal chemistry and drug discovery.

Is Methyl (5alpha,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate (CAS: 4429-63-4) safe?

Methyl (5alpha,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate (CAS: 4429-63-4) is generally considered safe when handled properly in controlled laboratory settings. However, it should be treated with care, as it may have potential toxicity if ingested or inhaled. Always follow standard safety protocols and use appropriate personal protective equipment (PPE) when working with this compound.

How should Methyl (5alpha,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate (CAS: 4429-63-4) be stored?

Methyl (5alpha,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate (CAS: 4429-63-4) should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is recommended to keep it in a sealed container to prevent moisture ingress and contamination. Avoid exposure to light and ensure proper ventilation to maintain stability and safety.