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Substance Name: Acetic acid, ((17-hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)-
RN: 114223-07-3
InChIKey: IWKCRBDVDSOWKC-RVVAPLPOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-O6-S

Molecular Weight

  • 434.55
 
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Names and Synonyms

Synonyms

  • ((17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)acetic acid
  • (17-alpha-Hydroxy-4-pregnene-3,11,20-trione-21-yl-21-thio)acetic acid
  • BRN 3598546

Systematic Name

  • Acetic acid, ((17-hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)-

Registry Numbers

CAS Registry Number

  • 114223-07-3

System Generated Number

  • 0114223073

Structure Descriptors

InChI

1S/C23H30O6S/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/h9,15-16,20,29H,3-8,10-12H2,1-2H3,(H,27,28)/t15-,16-,20+,21-,22-,23-/m0/s1

InChIKey

IWKCRBDVDSOWKC-RVVAPLPOSA-N

Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CSCC(=O)O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 815mg/kg (815mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 225, 1988.