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Substance Name: Acetic acid, ((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, methyl ester, (11-beta)-
RN: 114967-89-4
InChIKey: HHXLBWRVDHEWKT-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)-((11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetic acid methyl ester
  • (11-beta,17-alpha-Dihydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid methyl ester
  • BRN 3598324

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 114967-89-4

System Generated Number

  • 0114967894

Structure Descriptors

InChI

1S/C24H34O6S/c1-22-8-6-15(25)10-14(22)4-5-16-17-7-9-24(29,19(27)12-31-13-20(28)30-3)23(17,2)11-18(26)21(16)22/h10,16-18,21,26,29H,4-9,11-13H2,1-3H3/t16?,17?,18-,21?,22-,23-,24-/m0/s1

InChIKey

HHXLBWRVDHEWKT-YBIJMBQPSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 225, 1988.