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Substance Name: Pregnanediol V
RN: 80-91-1
UNII: 69Z9A22236
InChIKey: YWYQTGBBEZQBGO-OQOYYRQQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H36-O2

Molecular Weight

  • 320.513
 
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Names and Synonyms

Results Name

  • Pregnanediol V

Name of Substance

  • Pregnanediol V

Synonyms

  • 3-alpha,20-beta-Dihydroxy-5-beta-pregnane
  • BRN 2332395
  • EINECS 201-312-1
  • Pregnanediol V
  • UNII-69Z9A22236

Systematic Names

  • 5-beta-Pregnane, 3-alpha,20-beta-dihydroxy-
  • 5-beta-Pregnane-3-alpha,20-beta-diol
  • Pregnane-3,20-diol, (3-alpha,5-beta,20R)- (9CI)

Registry Numbers

CAS Registry Number

  • 80-91-1

FDA UNII

  • 69Z9A22236

System Generated Number

  • 0000080911

Structure Descriptors

InChI

1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18+,19+,20+,21-/m1/s1

InChIKey

YWYQTGBBEZQBGO-OQOYYRQQSA-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]2C1)[C@H](O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968.