Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Propanoic acid, 2-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-
RN: 114967-86-1
InChIKey: JECGASGLEOIYQW-IXLMVRMZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-O5-S

Molecular Weight

  • 434.5936
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-((17-Hydroxy-3,20-dioxopregn-4-en-21-yl)thio)propanoic acid
  • alpha-(17-alpha-Hydroxy-4-pregnene-3,20-dion-21-yl-thio)-2-propionic acid
  • BRN 3572784

Systematic Name

  • Propanoic acid, 2-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-

Registry Numbers

CAS Registry Number

  • 114967-86-1

System Generated Number

  • 0114967861

Structure Descriptors

InChI

1S/C24H34O5S/c1-14(21(27)28)30-13-20(26)24(29)11-8-19-17-5-4-15-12-16(25)6-9-22(15,2)18(17)7-10-23(19,24)3/h12,14,17-19,29H,4-11,13H2,1-3H3,(H,27,28)/t14?,17?,18?,19?,22-,23-,24-/m0/s1

InChIKey

JECGASGLEOIYQW-IXLMVRMZSA-N

Smiles

CC(C(=O)O)SCC(=O)[C@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 410mg/kg (410mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 225, 1988.