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Substance Name: Mexrenone
RN: 41020-65-9
UNII: 16FTD41OAV
InChIKey: ADZYJDJNIBFOQE-RGKMBJPFSA-N

Molecular Formula

  • C24-H32-O5

Molecular Weight

  • 400.5118
 
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Names and Synonyms

Results Name

  • Mexrenone

Name of Substance

  • SC 25152

Synonyms

  • 17-Hydroxy-3-oxo-17 alpha-pregn-4-ene-7 alpha,21-dicarboxylic acid 7-methylester gamma-lactone
  • 17-Hydroxy-3-oxo-17alpha-pregn-4-ene-7alpha,21-dicarboxylic acid 7-methylester gamma-lactone
  • Mexrenone
  • SC-25152
  • UNII-16FTD41OAV
  • ZK 32055

Systematic Name

  • Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, methyl ester, (7alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 41020-65-9

FDA UNII

  • 16FTD41OAV

System Generated Number

  • 0041020659

Structure Descriptors

InChI

1S/C24H32O5/c1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17+,18+,20-,22+,23+,24-/m1/s1

InChIKey

ADZYJDJNIBFOQE-RGKMBJPFSA-N

Smiles

C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)C(=O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.94 (none)   EXP
Water Solubility 67 mg/L 25 EST
Vapor Pressure 2.71E-10 mm Hg 25 EST
Henry's Law Constant 3.20E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-10 cm3/molecule-sec 25 EST

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