Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-
RN: 114967-85-0
InChIKey: PZTBPWRIJKJGJL-RRDSURKDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-O5-S

Molecular Weight

  • 420.5668
 
* 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

  • ((3,20-Dioxo-17-hydroxypregn-4-en-21-yl)thio)acetic acid
  • (17-alpha-Hydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid
  • BRN 3597775

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 114967-85-0

System Generated Number

  • 0114967850

Structure Descriptors

InChI

1S/C23H32O5S/c1-21-8-5-15(24)11-14(21)3-4-16-17(21)6-9-22(2)18(16)7-10-23(22,28)19(25)12-29-13-20(26)27/h11,16-18,28H,3-10,12-13H2,1-2H3,(H,26,27)/t16?,17?,18?,21-,22-,23-/m0/s1

InChIKey

PZTBPWRIJKJGJL-RRDSURKDSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 447mg/kg (447mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 225, 1988.