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Substance Name: Allopregnanolone
RN: 516-55-2
UNII: 3P8Z6V53MU
InChIKey: AURFZBICLPNKBZ-FZCSVUEKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H34-O2

Molecular Weight

  • 318.4976
 
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Names and Synonyms

Results Name

  • Allopregnanolone

Name of Substance

  • Allopregnan-3beta-ol-20-one
  • Sepranolone [INN]

Synonyms

  • 3-beta-Allopregnanolone
  • 3-beta-Hydroxy-5-alpha-pregnan-20-one
  • 3beta-Hydroxy-5alpha-tetrahydroprogesterone
  • 5-alpha-Dihydropregnenolone
  • 5alpha-Pregnan-3beta-ol-20-one
  • Allopregnan-3beta-ol-20-one
  • Allopregnanolone
  • EINECS 208-224-2
  • Epiallopregnanolone
  • Isoallopregnanolone
  • Isopregnanolone
  • NSC 97078
  • Sepranolone
  • U 0949
  • UC 1010
  • UNII-3P8Z6V53MU

Systematic Names

  • 3-beta-Hydroxy-5-alpha-pregnan-20-one
  • 5-alpha-Pregnan-20-one, 3-beta-hydroxy-
  • 5alpha-Pregnan-20-one, 3beta-hydroxy- (8CI)
  • Pregnan-20-one, 3-hydroxy-, (3-beta,5-alpha)- (9CI)
  • Pregnan-20-one, 3-hydroxy-, (3beta,5alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 516-55-2

FDA UNII

  • 3P8Z6V53MU

System Generated Number

  • 0000516552

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+/m0/s1

InChIKey

AURFZBICLPNKBZ-FZCSVUEKSA-N

Smiles

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C

Toxicity

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 194.5 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.