Synonym: 1,3,5(10)-Estratriene-3,17β-diol 3-benzoate; 3,17β-Dihydroxy-1,3,5(10)-estratriene 3-benzoate; 3-Benzoyloxy-17β-estrol
CAS Number: 50-50-0
Empirical Formula (Hill Notation): C25H28O3
Molecular Weight: 376.49
EC Number: 200-043-7
MDL Number: MFCD00003692
Linear Formula: C25H28O3
Product Type: Chemical
| assay |
≥97% |
| 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 |
| mp |
191-198 °C (lit.) |
| Quality Level |
200  |
| SMILES string |
[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4cc(OC(=O)c5ccccc5)ccc24 |
| Application: |
Used in a study of general steroid metabolism and clearing, as groundwork for anabolic steroid screening in athletes. |
| 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. |
| 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. |
| Packaging: |
1, 5 g in poly bottle |
| Packaging: |
200 mg in poly bottle |
| Symbol |
 GHS08 |
| Signal word |
Danger |
| Hazard statements |
H351 - H360 |
| Precautionary statements |
P201 - P308 + P313 |
| Hazard Codes |
T |
| Risk Statements |
60-61-40 |
| Safety Statements |
22-36/37/39-45 |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥97% |
| mp |
191-198 °C (lit.) |
| UNSPSC |
51111800 |
