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CAS 84371-64-2

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Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (5α,11β,17β)-

Description:
Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, with the CAS number 84371-64-2, is a synthetic steroid compound that exhibits characteristics typical of steroid hormones. This compound features a steroid backbone with multiple functional groups, including hydroxyl (-OH) groups, which contribute to its biological activity. The presence of a dimethylamino group suggests potential interactions with biological receptors, possibly influencing its pharmacological effects. The propynyl substituent may enhance lipophilicity, affecting the compound's absorption and distribution in biological systems. Additionally, the cyclic acetal structure indicates stability against hydrolysis, which can be advantageous for its therapeutic applications. Overall, this compound is likely to exhibit hormonal activity, potentially influencing various physiological processes, and may be of interest in medicinal chemistry and pharmacology for its potential therapeutic uses. However, specific biological activities and safety profiles would require further investigation through empirical studies.
Formula:C31H41NO4
InChI:InChI=1S/C31H41NO4/c1-5-13-30(34)15-11-25-23-10-14-29(33)20-31(35-17-18-36-31)16-12-26(29)27(23)24(19-28(25,30)2)21-6-8-22(9-7-21)32(3)4/h6-9,23-25,33-34H,10-12,14-20H2,1-4H3/t23-,24+,25-,28-,29+,30-/m0/s1
InChI key:InChIKey=RIJGHAHZKTWZNK-NJPSTFMDSA-N
SMILES:O[C@]12C(=C3[C@]([C@]4([C@](C)(C[C@@H]3C5=CC=C(N(C)C)C=C5)[C@@](C#CC)(O)CC4)[H])(CC1)[H])CCC6(C2)OCCO6
Synonyms:
  • 11β-[(4-N,N-dimethylamino)phenyl)]-17α-(propyn-1-ynyl)-3,3-ethylendioxy-estra-9-en-5α,17β-diol
  • Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (5α,11β,17β)-
  • Mifepristone Precursor
  • Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propynyl)-, cyclic 1,2-ethanediyl acetal, (5α,11β,17β)-
  • Estr-9-En-3-One, 11-[4-(Dimethylamino)Phenyl]-5,17-Dihydroxy-17-(1-Propynyl)-, Cyclic 1,2-Ethanediyl Acetal, (5A,11B,17B)-
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