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Substance Name: Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-
RN: 114967-92-9
InChIKey: WKAQQKOGFMXBAK-JZTHCNPZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H34-O4-S

Molecular Weight

  • 406.5836
 
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Names and Synonyms

Synonyms

  • 17-Hydroxy-21-((2-hydroxyethyl)thio)pregn-4-ene-3,20-dione
  • 2-(17-alpha-Hydroxy-4-pregnene-3,20-dion-21-yl-21-thio)ethanol
  • BRN 5628381

Systematic Name

  • Pregn-4-ene-3,20-dione, 17-hydroxy-21-((2-hydroxyethyl)thio)-

Registry Numbers

CAS Registry Number

  • 114967-92-9

System Generated Number

  • 0114967929

Structure Descriptors

InChI

1S/C23H34O4S/c1-21-8-5-16(25)13-15(21)3-4-17-18(21)6-9-22(2)19(17)7-10-23(22,27)20(26)14-28-12-11-24/h13,17-19,24,27H,3-12,14H2,1-2H3/t17-,18+,19+,21+,22+,23+/m1/s1

InChIKey

WKAQQKOGFMXBAK-JZTHCNPZSA-N

Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CSCCO)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 708mg/kg (708mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 225, 1988.