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Substance Name: Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-
RN: 114967-87-2
InChIKey: UAFRGXAWRASUEZ-UMYBXSPQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-O5-S

Molecular Weight

  • 434.5936
 
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Names and Synonyms

Synonyms

  • 3-((3,20-Dioxo-17-hydroxypregn-4-en-21-yl)thio)propanoic acid
  • alpha-(17-alpha-Hydroxy-4-pregnene-3,20-dion-21-yl-thio)-3-propionic acid
  • BRN 3571959

Systematic Name

  • Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-

Registry Numbers

CAS Registry Number

  • 114967-87-2

System Generated Number

  • 0114967872

Structure Descriptors

InChI

1S/C24H34O5S/c1-22-9-5-16(25)13-15(22)3-4-17-18(22)6-10-23(2)19(17)7-11-24(23,29)20(26)14-30-12-8-21(27)28/h13,17-19,29H,3-12,14H2,1-2H3,(H,27,28)/t17?,18?,19?,22-,23-,24-/m0/s1

InChIKey

UAFRGXAWRASUEZ-UMYBXSPQSA-N

Smiles

C[C@]12CCC(=O)C=C1CCC3C2CC[C@]4(C3CC[C@@]4(C(=O)CSCCC(=O)O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 225, 1988.