CAS 77881-13-1

(17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile

Description:

The chemical substance known as (17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile, with the CAS number 77881-13-1, is a synthetic steroid compound that belongs to the class of androgens. It features a steroid backbone characterized by a cyclopentanoperhydrophenanthrene structure, which is typical of steroid hormones. The presence of a hydroxyl group at the 17-alpha position and a carbonitrile group at the 17 position indicates its potential for biological activity, particularly in modulating androgenic effects. This compound is often studied for its pharmacological properties, including its role in hormone replacement therapy and its potential applications in treating various medical conditions. Its structural modifications can influence its potency, selectivity, and metabolic stability. As with many steroid derivatives, it is important to consider its safety profile, potential side effects, and regulatory status in therapeutic contexts. Overall, this compound exemplifies the complexity and utility of synthetic steroids in medicinal chemistry.

Formula: C₂₀H₂₇NO₂

InChI: InChI=1/C20H27NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h11,15-17,23H,3-10H2,1-2H3/t15-,16+,17+,18+,19+,20+/m1/s1

InChI key: InChIKey=JYCSLUASXDFIEL-HLXURNFRSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@]2(C#N)O)[H]