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Substance Name: 5-beta-Pregnan-20-one, 3-alpha,11-alpha-dihydroxy-
RN: 600-52-2
InChIKey: NFVCQZNBRFPYOP-WDDOJFKXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H34-O3

Molecular Weight

  • 334.497
 
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Names and Synonyms

Synonyms

  • 3-alpha,11-alpha-Dihydroxy-5-beta-pregnan-20-one
  • 3alpha,11alpha-Dihydroxy-5beta-pregnan-20-one
  • NSC 82863

Systematic Names

  • 5-beta-Pregnan-20-one, 3-alpha,11-alpha-dihydroxy-
  • 5beta-Pregnan-20-one, 3alpha,11alpha-dihydroxy- (8CI)
  • Pregnan-20-one, 3,11-dihydroxy-, (3alpha,5beta,11alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 600-52-2

System Generated Number

  • 0000600522

Structure Descriptors

InChI

1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1

InChIKey

NFVCQZNBRFPYOP-WDDOJFKXSA-N

Smiles

C1[C@@]2([C@H](CC[C@H]2[C@@H]2CC[C@H]3[C@@](CC[C@H](C3)O)(C)[C@@H]2[C@@H]1O)C(=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968.