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Substance Name: 5-beta,14-beta,17-alpha-Pregnan-20-one, 3-beta,14,21-trihydroxy-, 3-acetate, 21-chloroacetate
RN: 67462-33-3
InChIKey: QYLYOHCGQGNUAX-XDWZTKLASA-N

Molecular Formula

  • C25-H37-Cl-O6

Molecular Weight

  • 469.0143
 
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Names and Synonyms

Synonyms

  • 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-chloroacetate
  • 5-beta,14-beta,17-alpha-Pregnane-3-beta,14,21-triol, 20-oxo-, 3-acetate, 21-chloroacetate
  • BRN 2491320

Systematic Name

  • 5-beta,14-beta,17-alpha-Pregnan-20-one, 3-beta,14,21-trihydroxy-, 3-acetate, 21-chloroacetate

Registry Numbers

CAS Registry Number

  • 67462-33-3

System Generated Number

  • 0067462333

Structure Descriptors

InChI

1S/C25H37ClO6/c1-15(27)32-17-6-9-23(2)16(12-17)4-5-19-18(23)7-10-24(3)20(8-11-25(19,24)30)21(28)14-31-22(29)13-26/h16-20,30H,4-14H2,1-3H3/t16-,17+,18+,19-,20+,23+,24-,25+/m1/s1

InChIKey

QYLYOHCGQGNUAX-XDWZTKLASA-N

Smiles

CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)CCl)O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 3800ug/kg (3.8mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 657, 1970.