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Substance Name: Dicirenone [USAN:INN]
RN: 41020-79-5
UNII: M8K306YKSX
InChIKey: WUVPAYPBMZMHJO-IMNLCBETSA-N

Note

  • Spirolactone aldosterone antagonist.

Classification Codes

  • Aldosterone Antagonist
  • Hypotensive

Molecular Formula

  • C26-H36-O5

Molecular Weight

  • 428.5654
 
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Names and Synonyms

Name of Substance

  • Dicirenone [USAN:INN]
  • SC 26304

Synonyms

  • 17-Hydroxy-3-oxo-17alpha-pregn-4-ene-7alpha,21-dicarboxylic acid, gamma-lactone, isopropyl ester
  • Dicirenona
  • Dicirenona [Spanish]
  • Dicirenone
  • Dicirenonum
  • Dicirenonum [Latin]
  • SC-26304
  • UNII-M8K306YKSX

Systematic Names

  • 3-(3-Oxo-7alpha-carboxyisopropyl-17beta-hydroxy-4-androstene-17alpha yl)propionic acid gamma lactone
  • Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, 1-methylethyl ester, (7alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 41020-79-5

FDA UNII

  • M8K306YKSX

System Generated Number

  • 0041020795

Structure Descriptors

InChI

1S/C26H36O5/c1-15(2)30-23(29)18-14-16-13-17(27)5-9-24(16,3)19-6-10-25(4)20(22(18)19)7-11-26(25)12-8-21(28)31-26/h13,15,18-20,22H,5-12,14H2,1-4H3/t18-,19+,20+,22-,24+,25+,26-/m1/s1

InChIKey

WUVPAYPBMZMHJO-IMNLCBETSA-N

Smiles

CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.82 (none)   EXP
Water Solubility 7.940 mg/L 25 EST
Vapor Pressure 8.55E-11 mm Hg 25 EST
Henry's Law Constant 5.64E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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