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Substance Name: Pregnanolone
RN: 128-20-1
UNII: BXO86P3XXW
InChIKey: AURFZBICLPNKBZ-YZRLXODZSA-N

Note

  • A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.

Molecular Formula

  • C21-H34-O2

Molecular Weight

  • 318.4976
 

Classification Codes

  • Anesthetics
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
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Names and Synonyms

Results Name

  • Pregnanolone

Name of Substance

  • Eltanolone [INN]
  • Pregnan-3alpha-ol-20-one
  • Pregnanolone

MeSH Heading

  • Pregnanolone

Synonyms

  • 3-alpha-Hydroxy-5-beta-pregnan-20-one
  • 3alpha,5beta-Epimeric pregnanolone
  • 3alpha-Hydroxy-5beta-pregnan-20-one
  • 3alpha-Hydroxy-5beta-tetrahydroprogesterone
  • 5beta-Pregnan-3alpha-ol-20-one
  • BRN 4785659
  • Eltanolona
  • Eltanolona [INN-Spanish]
  • Eltanolone
  • Eltanolonum
  • Eltanolonum [INN-Latin]
  • NSC 82867
  • Pregnan-3alpha-ol-20-one
  • Pregnanolone
  • Pregnanolone II
  • SKF 6455
  • UNII-BXO86P3XXW

Systematic Names

  • 3alpha-Hydroxy-5beta-pregnan-20-one
  • 5-beta-Pregnan-20-one, 3-alpha-hydroxy-
  • 5beta-Pregnan-20-one, 3alpha-hydroxy- (8CI)
  • Pregnan-20-one, 3-hydroxy-, (3alpha,5beta)-

Registry Numbers

CAS Registry Number

  • 128-20-1

FDA UNII

  • BXO86P3XXW

System Generated Number

  • 0000128201

Structure Descriptors

InChI

1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1

InChIKey

AURFZBICLPNKBZ-YZRLXODZSA-N

Smiles

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 66mg/kg (66mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968.
rat LD50 intravenous 27500ug/kg (27.5mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 149.5 deg C   EXP
log P (octanol-water) 3.970 (none)   EST
Atmospheric OH Rate Constant 3.91E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.