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Substance Name: Acetic acid, ((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, sodium salt, (11-beta)-
RN: 114967-93-0
InChIKey: GBSRRDIMTLVMCD-IESFLJJMSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-O6-S.Na

Molecular Weight

  • 458.5479
 
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Names and Synonyms

Synonyms

  • (11-beta)-((11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetic acid sodium salt
  • (11-beta,17-alpha-Dihydroxy-4-pregnene-3,20-dion-21-yl-21-thiol)acetic acid sodium salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 114967-93-0

System Generated Number

  • 0114967930

Molecular Formulas

Molecular Formula

  • C23-H32-O6-S.Na

Molecular Formula Fragments

  • C23-H32-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H32O6S.Na/c1-21-7-5-14(24)9-13(21)3-4-15-16-6-8-23(29,18(26)11-30-12-19(27)28)22(16,2)10-17(25)20(15)21;/h9,15-17,20,25,29H,3-8,10-12H2,1-2H3,(H,27,28);/q;+1/p-1/t15?,16?,17-,20?,21-,22-,23-;/m0./s1

InChIKey

GBSRRDIMTLVMCD-IESFLJJMSA-M

Smiles

C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)CSCC(=O)[O-])O)C)O.[Na+]

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.