Potassium canrenoateProduct ingredient for Canrenoic acid
- Name
- Potassium canrenoate
- Drug Entry
- Canrenoic acid
Canrenoic acid (as the salt potassium canrenoate) is an aldosterone antagonist. Like spironolactone, it is a prodrug, which is metabolized to canrenone in the body.
- Accession Number
- DBSALT001874
- Structure
- Synonyms
- Canrenoate potassium / Canrenone free acid potassium salt
- External IDs
- SC-14266
- UNII
- M671F9NLEA
- CAS Number
- 2181-04-6
- Weight
- Average: 396.5616
Monoisotopic: 396.170291277 - Chemical Formula
- C22H29KO4
- InChI Key
- JTZQCHFUGHIPDF-RYVBEKKQSA-M
- 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);/q;+1/p-1/t16-,17+,18+,20+,21+,22-;/m1./s1
- IUPAC Name
- potassium 3-[(1R,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]propanoate
- SMILES
- [K+].[H][C@@]12CC[C@@](O)(CCC([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C
- External Links
- KEGG Drug
- D01943
- ChemSpider
- 570975
- ChEMBL
- CHEMBL1371200
- Wikipedia
- Potassium_canrenoate
- Predicted Properties
Property Value Source Water Solubility 0.0103 mg/mL ALOGPS logP 2.9 ALOGPS logP 2.93 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 4.48 Chemaxon pKa (Strongest Basic) -3.1 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 77.43 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 111.81 m3·mol-1 Chemaxon Polarizability 39.99 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon