chempirical

Canrenoate potassium

C22H29KO4CAS 2181-04-6396.57 g/mol

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AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C22H29KO4
Molar mass
396.57 g/mol
Exact mass
396.1703 Da
Density
1.35 g/mL
logP
3.51Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
R, R, S, S, S, Rin SMILES atom order

Identifiers

CAS number
2181-04-6
SMILES
C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCC([O-])=O.[K+]
InChIKey
OCNCAPJTFQNUKP-RYVBEKKQSA-N
InChI
InChI=1S/C22H30O4.K/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25;/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25);/t16-,17+,18+,20+,21+,22-;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

23 names · show all
  • Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, potassium salt (1:1), (17α)-
  • 17α-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, monopotassium salt
  • Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, monopotassium salt, (17α)-
  • 17α-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, potassium salt
  • Potassium aldadiene
  • Potassium 3-(17β-hydroxy-3-oxoandrosta-4,6-dien-17-yl)propionate
  • Potassium 17-hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylate
  • Potassium β-(3-oxo-17β-hydroxyandrosta-4,6-dien-17α-yl)propionate
  • SC 14266
  • Potassium canrenoate
  • Aldadiene kalium
  • Aldadiene potassium
  • CB 8109
  • Soldactona
  • Soludactone
  • Aldadiene potassium salt
  • 17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid potassium salt
  • Potassium 3-(3-oxo-17β-hydroxy-4,6-androstadien-17α-yl)propionate
  • MF 465 a
  • Soldactone
  • SC 14266/371
  • Kanrenol
  • Venactone

Work with Canrenoate potassium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Canrenone976-71-655 % similar Pregna-4,6-diene-3,20-dione1162-56-748 % similar Dydrogesterone152-62-548 % similar 11α-Hydroxycanrenone192569-17-845 % similar Megestrol3562-63-840 % similar Methyltestosterone58-18-438 % similar Medrogestone977-79-737 % similar Norethandrolone52-78-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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