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Key Documents

E8515

Sigma-Aldrich

β-Estradiol 3-benzoate

≥97%

Synonym(s):

1,3,5(10)-Estratriene-3,17β-diol 3-benzoate, 3,17β-Dihydroxy-1,3,5(10)-estratriene 3-benzoate, 3-Benzoyloxy-17β-estrol

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About This Item

Empirical Formula (Hill Notation):
C25H28O3
CAS Number:
Molecular Weight:
376.49
Beilstein:
3107526
EC Number:
MDL number:
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77

Quality Level

Assay

≥97%

mp

191-198 °C (lit.)

SMILES string

[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4cc(OC(=O)c5ccccc5)ccc24

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

InChI key

UYIFTLBWAOGQBI-BZDYCCQFSA-N

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Application

β-Estradiol 3-benzoate has been used:to mimic estradiol in rat during the oestrous cycle in rats. It has also been used along with progesterone for the induction of sexual receptivity in female rat.
Used in a study of general steroid metabolism and clearing, as groundwork for anabolic steroid screening in athletes.

Biochem/physiol Actions

β-Estradiol 3-benzoate is a synthetic estrogen. It favors breast cancer progression. It is an endocrine disrupting chemicals. It interacts with endocrine system and cause harmful effect on reproduction in animals and humans. It binds to estrogen receptors and favors tumor metastatis in breast, prostate and bone cells.

Pictograms

Health hazard

Signal Word

Danger

Hazard Statements

Hazard Classifications

Carc. 2 - Repr. 1B

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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