Methyl (3alpha,14beta,16alpha)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate

Basic Information

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CAS Number

1617-90-9

Molecular Formula

C21H26N2O3

Molecular Weight

354.45 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

Cryst.

Melting Point

232 ºC (dec.)

Boiling Point

487.66°C (rough estimate)

Flash Point

261.6 °C

Solubility

In water, 62 mg/L @ 25 °C /Estimated/

Refractive Index

1.6500 (estimate)

Vapor Pressure

1.1X10-12 mm Hg @ 25 °C /Estimated/

Specific Rotation

42.8 º (c=1 in pyridine)

SMILES

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CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O

InChI

InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1

InChIKey

RXPRRQLKFXBCSJ-GIVPXCGWSA-N

LogP

2.9525000000000015

Topological Polar Surface Area

54.7 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

598

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Storage Conditions

2-8℃

Toxicity

LD50 in mice (mg/kg): 75 i.v.; >1000 s.c. (Szporny, Szász); 1000 orally (Szabo, Nagy)

Synonyms & References

English

Vincamina
Tox21_111342
Minorin
D08677
A851579
NCGC00184983-03
(+)-Vincamine
VINCAMINE [MART.]
Q416225
Prestwick2_000271
AKOS015896471
Minorine
Vincaminum
VINCAMINE [HSDB]
Anasclerol
Perval
VINCAMINE [WHO-DD]
Angiopac
CHEMBL1165342
SMP1_000314
Cetal retard
NCGC00094824-01
Equipur
BSPBio_000142
Tox21_301968
CHEBI:9985
DTXSID9040134
AC-22625
Vincamin
Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-,methyl ester, (3alpha,14beta,16alpha)-
Vincafolina

MDL Number

MFCD00078054

FAQ

What is Methyl (3alpha,14beta,16alpha)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate (CAS: 1617-90-9)?

Methyl (3alpha,14beta,16alpha)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate (CAS: 1617-90-9) is a complex organic compound derived from eburnamenine, a triterpenoid. It contains a hydroxy group, a carboxylate functional group, and a methyl substituent, contributing to its structural uniqueness. This compound is notable for its potential applications in pharmaceutical and biochemical research due to its bioactive properties.

What are the main uses of Methyl (3alpha,14beta,16alpha)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate (CAS: 1617-90-9)?

This compound is primarily used in pharmaceutical research as a derivative of eburnamenine, which is associated with biological activities. It may serve as an intermediate in the synthesis of other bioactive molecules. Additionally, it is studied for potential applications in organic chemistry and medicinal chemistry due to its structural complexity and reactivity.

Is Methyl (3alpha,14beta,16alpha)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate (CAS: 1617-90-9) safe?

Safety data for this compound is limited, but as with many organic chemicals, it requires careful handling. Precautions include avoiding inhalation, skin contact, and ingestion. Protective measures such as gloves, goggles, and a fume hood are recommended during use. Always follow established safety protocols and regulatory guidelines for handling chemical compounds with potential toxicity.

How should Methyl (3alpha,14beta,16alpha)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate (CAS: 1617-90-9) be stored?

This compound should be stored in a cool, dry place, away from light and moisture. It is best kept in a sealed, airtight container at temperatures between 2-8°C to maintain stability. Avoid exposure to air and contaminants, and ensure storage conditions comply with standard chemical safety practices for organic derivatives.