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Substance Name: Pregnane-3,20-dione, 6-alpha,17-alpha,21-trihydroxy-, 21-acetate 6-hemisuccinate
RN: 102586-28-7
InChIKey: PDTYYOKLOBEZMZ-ZLUUWFRSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H40-O9

Molecular Weight

  • 521.6229
 
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Names and Synonyms

Synonyms

  • 6-alpha,17-alpha,21-Trihydroxypregnane-3,20-dione 1-acetate 6-hemisuccinate
  • 6-alpha,17-alpha,21-Triol-pregnan-dion (3,20)21-acetat-6-hemisuccinat
  • 6-alpha,17-alpha,21-Triol-pregnan-dion (3,20)21-acetat-6-hemisuccinat [German]
  • Triol-pregnan
  • Triol-pregnan [German]

Systematic Name

  • Pregnane-3,20-dione, 6-alpha,17-alpha,21-trihydroxy-, 21-acetate 6-hemisuccinate

Registry Numbers

CAS Registry Number

  • 102586-28-7

System Generated Number

  • 0102586287

Structure Descriptors

InChI

1S/C28H41O9/c1-17(29)36-16-23(31)27(35)9-4-11-28(27,3)12-8-20-18(15-28)13-22(37-25(34)6-5-24(32)33)21-14-19(30)7-10-26(20,21)2/h18,20-22,35H,4-16H2,1-3H3,(H,32,33)/t18-,20-,21-,22-,26+,27-/m0/s1

InChIKey

PDTYYOKLOBEZMZ-ZLUUWFRSSA-N

Smiles

CC(=O)OCC(=O)[C@]1(CCCC12(CC[C@H]3[C@H](C2)C[C@@H]([C@H]4[C@@]3(CCC(=O)C4)C)OC(=O)CCC(=O)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 200mg/kg (200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 743, 1959.