CAS 84693-92-5

(16beta,17beta)-16-fluoroestra-1,3,5(10)-triene-3,17-diol

Description:

The chemical substance known as (16beta,17beta)-16-fluoroestra-1,3,5(10)-triene-3,17-diol, with the CAS number 84693-92-5, is a synthetic steroid that belongs to the class of estrogens. It features a fluorine atom at the 16th carbon position, which modifies its biological activity compared to natural estrogens. This compound has a triene structure, indicating the presence of three conjugated double bonds, which contributes to its stability and reactivity. The hydroxyl groups at the 3 and 17 positions enhance its solubility in water and its interaction with estrogen receptors. As a selective estrogen receptor modulator (SERM), it may exhibit tissue-selective estrogenic or anti-estrogenic effects, making it of interest in therapeutic applications, particularly in hormone-related conditions. Its unique structural characteristics influence its pharmacokinetics, potency, and potential side effects. Due to its specific modifications, this compound is studied for its potential in hormone replacement therapy and cancer treatment, particularly in estrogen-sensitive tissues.

Formula: C₁₈H₂₃FO₂

InChI: InChI=1/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1

InChI key: KDLLNMRYZGUVMA-ZMSHIADSSA-N

SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)F)CCC4=C3C=CC(=C4)O

Synonyms:

• Estra-1,3,5(10)-triene-3,17-diol, 16-fluoro-, (16beta,17beta)-