(17beta)-17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate

Basic Information

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CAS Number

50-50-0

Molecular Formula

C25H28O3

Molecular Weight

376.5 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

191-198?°C

Boiling Point

531.2°C at 760mmHg

Flash Point

212°C

Refractive Index

1.604

Vapor Pressure

4.08E-12mmHg at 25°C

Specific Rotation

+58° - +63° (c=1, Dioxane)

SMILES

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C[C@@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]2CC[C@@H]1O

InChI

InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1

InChIKey

UYIFTLBWAOGQBI-BZDYCCQFSA-N

LogP

5.122800000000006

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

582

Safety Information

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GHS Hazard Pictograms

H351

H360

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

estradiol benzoate
beta-Estradiol-3-benzoate
Oestradiol Benzoate
17beta-Estradiol benzoate
1,3,5(10)-Estratriene-3,17b-diol 3-benzoate
3,17b-Dihydroxy-1,3,5(10)-estratriene 3-benzoate
(17beta)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate
1,3,5(10)-Estratriene-3,17-diol-3-benzoate
1,3,5(10)-Oestratriene-3,17-beta-diol 3-benzoate
17beta-Estradiol monobenzoate
17-beta-estradiolmonobenzoate
17-beta-Oestradiol 3-benzoate
17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate
17β-estradiol3-benzoate
3-(benzoyloxy)estra-1,3,5(10)-trien-17β-ol
Benovocylin
Benzestrofol
Benzhormovarine
Benzoate d'oestradiol
β-Estradiol 3-benzoate
31104
17beta-estradiol 3-benzoate
benztrone
diogynb
EBZ
ESTON-B
folone
Graafina
MEE
ODB
Solestro

MDL Number

MFCD00003692

FAQ

What is (17beta)-17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate (CAS: 50-50-0)?

This compound, with the CAS number 50-50-0, is a derivative of estradiol, a key estrogen hormone. Its chemical formula is C25H32O3, and it features a benzoate ester group attached to the estradiol core. It is a white crystalline solid, soluble in organic solvents, and has a molecular weight of 376.52 g/mol. It is primarily used in pharmaceutical research for its biological activity related to estrogen receptor modulation.

What are the main uses of (17beta)-17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate (CAS: 50-50-0)?

This compound is mainly used in pharmaceuticals as a prodrug or intermediate for estrogen-based therapies. It also serves in research for studying hormonal mechanisms and in industrial applications for synthesizing related compounds. Additionally, it is utilized in biochemical assays to evaluate estrogen receptor interactions and in veterinary medicine for hormone regulation studies.

Is (17beta)-17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate (CAS: 50-50-0) safe?

Safety of this compound depends on exposure conditions. It is generally considered safe when handled properly, but it may have mild toxicity if ingested or inhaled. Protective measures include wearing gloves, goggles, and a lab coat. Safety standards recommend avoiding contact with skin and eyes, and it should be stored in a secure location to prevent accidental exposure to humans and animals.

How should (17beta)-17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate (CAS: 50-50-0) be stored?

This compound should be stored in a cool, dry place away from light. Maintain temperature between 2-8°C and humidity below 60% to ensure stability. Use airtight, dark-colored containers to prevent degradation. Avoid exposure to strong oxidizing agents and store in a well-ventilated area to minimize risks associated with improper storage conditions.