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CAS 15360-42-6

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Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1)

Description:
Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1), commonly known as a steroid derivative, exhibits characteristics typical of both steroid compounds and urea derivatives. This substance features a steroid backbone, which is characterized by a four-ring carbon structure, contributing to its biological activity, particularly in hormonal regulation. The presence of the acetyloxy group enhances its solubility and may influence its pharmacokinetic properties. The imidazolidinylurea component suggests potential applications in medicinal chemistry, possibly as an anti-inflammatory or immunomodulatory agent. The compound's molecular interactions may involve hydrogen bonding due to the urea functionality, which can enhance its binding affinity to biological targets. Additionally, the specific stereochemistry indicated by the (3β) configuration is crucial for its biological activity, as stereoisomers can exhibit significantly different effects in biological systems. Overall, this compound represents a complex interplay of steroidal and urea functionalities, making it of interest in pharmaceutical research and development.
Formula:C23H34O3·C4H6N4O3
InChI:InChI=1S/C23H34O3.C4H6N4O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4;5-3(10)6-1-2(9)8-4(11)7-1/h5,17-21H,6-13H2,1-4H3;1H,(H3,5,6,10)(H2,7,8,9,11)/t17-,18-,19+,20-,21-,22-,23+;/m0./s1
InChI key:InChIKey=UTYSKAACRIRCDK-YTUHENKESA-N
SMILES:C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)[H])[H])(CC[C@@H]2C(C)=O)[H].N(C(N)=O)C1NC(=O)NC1=O
Synonyms:
  • Allantoin, compd. with 3β-hydroxypregn-5-en-20-one acetate (1:1)
  • Pregn-5-en-20-one, 3β-hydroxy-, acetate, compd. with allantoin (1:1)
  • Urea, (2,5-dioxo-4-imidazolidinyl)-, compd. with (3β)-3-(acetyloxy)pregn-5-en-20-one (1:1)
  • Allantoin pregnenolone acetate
  • Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1)
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