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Substance Name: Propanoic acid, 3-((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, (11-beta)-
RN: 114967-88-3
InChIKey: XDGQFAAXMMOJNT-YBIJMBQPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-O6-S

Molecular Weight

  • 450.5926
 
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Names and Synonyms

Synonyms

  • (11-beta)-3-((11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)propanoic acid
  • beta-(11-beta,17-alpha-Dihydroxy-4-pregnene-3,20-dion-21-yl-thio)propionic acid
  • BRN 3598325

Systematic Name

  • Propanoic acid, 3-((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, (11-beta)-

Registry Numbers

CAS Registry Number

  • 114967-88-3

System Generated Number

  • 0114967883

Structure Descriptors

InChI

1S/C24H34O6S/c1-22-8-5-15(25)11-14(22)3-4-16-17-6-9-24(30,19(27)13-31-10-7-20(28)29)23(17,2)12-18(26)21(16)22/h11,16-18,21,26,30H,3-10,12-13H2,1-2H3,(H,28,29)/t16?,17?,18-,21?,22-,23-,24-/m0/s1

InChIKey

XDGQFAAXMMOJNT-YBIJMBQPSA-N

Smiles

C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)CSCCC(=O)O)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1030mg/kg (1030mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 225, 1988.