Canrenoic acid

Base Information

• Chemical Name: Canrenoic acid
• CAS No.: 4138-96-9
• Molecular Formula: C22H30O4
• Molecular Weight: 358.478
• European Community (EC) Number: 223-963-0,218-554-9
• UNII: 87UG89VA9K
• DSSTox Substance ID: DTXSID5022726
• Nikkaji Number: J8.683E
• Wikipedia: Potassium_canrenoate,Canrenoic_acid
• Wikidata: Q39045292
• NCI Thesaurus Code: C79862
• Metabolomics Workbench ID: 35433
• ChEMBL ID: CHEMBL1616951
• Mol file: 4138-96-9.mol

Synonyms:17 Hydroxy 3 Oxo 17alpha Pregna 4,6 Diene 21 Carboxylic Acid;17-Hydroxy-3-Oxo-17alpha-Pregna-4,6-Diene-21-Carboxylic Acid;Acid, 17-Hydroxy-3-Oxo-17alpha-Pregna-4,6-Diene-21-Carboxylic;Acid, Canrenoic;Canrenoate Potassium;Canrenoate, Potassium;Canrenoic Acid;Kalium Can. Ratiopharm;Kalium-Can.-ratiopharm;Potassium Canrenoate;SC 14266;SC-14266;SC14266;Soldactone;Soludactone;Spiroctan

Chemical Property of Canrenoic acid

Chemical Property:

• Vapor Pressure: 4.59E-15mmHg at 25°C
• Boiling Point: 563.9°C at 760 mmHg
• Flash Point: 308.9°C
• PSA: 74.60000
• Density: 1.22g/cm³
• LogP: 3.89020
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 358.21440943
• Heavy Atom Count: 26
• Complexity: 707

Purity/Quality:

99% ^*data from raw suppliers

3-((8R,9S,10R,13S,14S,17R)-17-HYDROXY-10,13-DIMETHYL-3-OXO-2,3,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(CCC(=O)O)O)C
• Isomeric SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)O)O)C
• Recent EU Clinical Trials: Diuretic Treatment in Acute Heart Failure with Volume Overload Guided by Serial Spot Urine Sodium Assessment
• Uses: Aldosterone antagonist.

Technology Process of Canrenoic acid

There total 1 articles about Canrenoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Canrenone (976-71-6,81769-06-4,113775-51-2) → Canrenoic acid (4138-96-9)

Guidance literature:

With enzymes; Rate constant;

DOI:10.1248/cpb.38.1012

upstream raw materials:

Canrenone

Refernces