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CAS 156685-94-8

:

(2β,3α,5α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one

Description:
The chemical substance "(2β,3α,5α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one," with the CAS number 156685-94-8, is a synthetic steroid derivative characterized by its structural modifications that include a chlorine atom at the 21 position, a hydroxyl group at the 3 position, and a morpholine moiety at the 2 position. This compound is part of the pregnane steroid family, which is known for its biological activity, particularly in relation to hormonal functions. The presence of the morpholine group suggests potential interactions with biological receptors, possibly influencing pharmacological properties. The compound may exhibit various activities, including anti-inflammatory or neuroactive effects, making it of interest in medicinal chemistry and pharmacology. Its specific stereochemistry, indicated by the β and α designations, plays a crucial role in determining its biological activity and receptor binding affinity. As with many steroid derivatives, the compound's solubility, stability, and metabolic pathways would be essential factors in its application and efficacy in therapeutic contexts.
Formula:C25H40ClNO3
InChI:InChI=1S/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17-,18-,19-,20+,21-,22-,24-,25-/m0/s1
InChI key:InChIKey=NZFNABGZEQPYBX-PMBZPZLSSA-N
SMILES:C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(CCl)=O)CC4)[H])(CC[C@]1(C[C@H](O)[C@H](C2)N5CCOCC5)[H])[H])[H]
Synonyms:
  • (2β,3α,5α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one
  • Pregnan-20-one, 21-chloro-3-hydroxy-2-(4-morpholinyl)-, (2β,3α,5α)-
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