Estradiol benzoate

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For Research Use Only.

Category

Impurities

Cat.No.

NP3302

CAS

50-50-0

Product Name

Estradiol benzoate

Structure

Product Details

Description

Estradiol benzoate is an estradiol analog which binds to the human, murine and chicken ERα with IC50 of 22-28 nM.

Synonyms

Estradiol Benzoate; Oestradiol benzoate; Estradiol monobenzoate; Benzo-Gynoestryl; Ovasterol-B;

IUPAC Name

[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate

Molecular Weight

376.49

Molecular Formula

C25H28O3

Canonical SMILES

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

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

Boiling Point

531.2°C at 760 mmHg

Melting Point

191-198°C(lit.)

Purity

>98%

Density

1.185 g/cm3

Appearance

White crystalline powder

Application

Contraceptive Agents, Hormonal

Form

Powder

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