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Substance Name: Acetic acid, ((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfinyl)-, methyl ester, (11-beta)-
RN: 114967-90-7
InChIKey: WJKDLBXZAGCOBZ-ZENVKDMHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-O7-S

Molecular Weight

  • 466.5916
 
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Names and Synonyms

Synonyms

  • BRN 3575341
  • Methyl (11-beta)-((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfinyl)acetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 114967-90-7

System Generated Number

  • 0114967907

Structure Descriptors

InChI

1S/C24H34O7S/c1-22-8-6-15(25)10-14(22)4-5-16-17-7-9-24(29,23(17,2)11-18(26)21(16)22)19(27)12-32(30)13-20(28)31-3/h10,16-18,21,26,29H,4-9,11-13H2,1-3H3/t16?,17?,18-,21?,22-,23-,24-,32?/m0/s1

InChIKey

WJKDLBXZAGCOBZ-ZENVKDMHSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1400mg/kg (1400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 225, 1988.