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Substance Name: 6,7-Dihydrocanrenone
RN: 976-70-5
InChIKey: UWBICEKKOYXZRG-WNHSNXHDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-O3

Molecular Weight

  • 342.476
 
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Names and Synonyms

Results Name

  • 6,7-Dihydrocanrenone

Synonyms

  • 20-Spirox-4-ene-3,20-dione
  • 3-(3-Oxo-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid gamma-lactone
  • 4-17-00-06330 (Beilstein Handbook Reference)
  • BRN 0043765
  • EC 213-552-4
  • EINECS 213-552-4
  • omega-(3-Oxo-17-beta-hydroxy-4-androsten-17-alpha-yl) propionic acid lactone
  • SC 5233
  • Spirolactone

Systematic Names

  • 17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone
  • 3-Oxopregn-4-ene-21,17alpha-carbolactone

Registry Numbers

CAS Registry Number

  • 976-70-5

System Generated Number

  • 0000976705

Structure Descriptors

InChI

1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1

InChIKey

UWBICEKKOYXZRG-WNHSNXHDSA-N

Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 490mg/kg (490mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 126, Pg. 123, 1959.
rat LD50 intraperitoneal > 700mg/kg (700mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 126, Pg. 123, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 156-159 deg C   EXP
log P (octanol-water) 2.98 (none)   EXP
Water Solubility 19.6 mg/L 25 EST
Vapor Pressure 7.65E-09 mm Hg 25 EST
Henry's Law Constant 1.34E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.00E-10 cm3/molecule-sec 25 EST

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