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Substance Name: 3,20-Pregnanedione
RN: 128-23-4
UNII: 105J2Q45A0
InChIKey: XMRPGKVKISIQBV-XWOJZHJZSA-N

Molecular Formula

  • C21-H32-O2

Molecular Weight

  • 316.482
 
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Names and Synonyms

Name of Substance

  • 3,20-Pregnanedione

Synonyms

  • 5beta-Dihydroprogesterone
  • 5beta-Pregnan-3,20-dione
  • NSC 82868
  • UNII-105J2Q45A0

Systematic Names

  • 5beta-Pregnane-3,20-dione (8CI)
  • Pregnane-3,20-dione, (5beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 128-23-4

FDA UNII

  • 105J2Q45A0

System Generated Number

  • 0000128234

Structure Descriptors

InChI

1S/C21H32O2/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/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1

InChIKey

XMRPGKVKISIQBV-XWOJZHJZSA-N

Smiles

O=C1C[C@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@@]4(CC[C@H]3[C@@]2(CC1)C)C)C(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 123 deg C   EXP
log P (octanol-water) 3.460 (none)   EST
Atmospheric OH Rate Constant 3.85E-11 cm3/molecule-sec 25 EST

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