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CAS 116256-35-0

:

(17α)-9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile

Description:
(17α)-9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile, with the CAS number 116256-35-0, is a synthetic steroid compound that exhibits specific structural characteristics typical of androstane derivatives. This compound features a steroid backbone with hydroxyl (-OH) groups at the 9 and 17 positions, contributing to its potential biological activity. The presence of a carbonitrile (-C≡N) group at the 17 position further modifies its chemical properties and may influence its interaction with biological targets. The keto group at the 3 position is indicative of its role in steroid metabolism. This compound is of interest in medicinal chemistry and pharmacology, particularly in the context of hormone-related therapies, due to its structural similarity to natural steroid hormones. Its unique functional groups may impart specific pharmacokinetic and pharmacodynamic properties, making it a candidate for further research in therapeutic applications. As with many steroid derivatives, its activity can be influenced by stereochemistry and the presence of substituents, which can affect receptor binding and biological efficacy.
Formula:C20H27NO3
InChI:InChI=1S/C20H27NO3/c1-17-7-5-14(22)11-13(17)3-4-16-15-6-8-19(23,12-21)18(15,2)9-10-20(16,17)24/h11,15-16,23-24H,3-10H2,1-2H3/t15-,16-,17-,18-,19-,20+/m0/s1
InChI key:InChIKey=UHCRRDZEBITSMZ-RPZLJYRGSA-N
SMILES:O[C@@]12[C@]([C@]3([C@](C)(CC1)[C@](C#N)(O)CC3)[H])(CCC=4[C@]2(C)CCC(=O)C4)[H]
Synonyms:
  • Androst-4-ene-17-carbonitrile, 9,17-dihydroxy-3-oxo-, (17α)-
  • (17α)-9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile
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