Enoxolone sodiumProduct ingredient for Enoxolone
- Name
- Enoxolone sodium
- Drug Entry
- Enoxolone
Enoxolone (glycyrrhetic acid) has been investigated for the basic science of Apparent Mineralocorticoid Excess (AME).
- Accession Number
- DBSALT002290
- Structure
Structure for Enoxolone sodium (DBSALT002290)
- Synonyms
- Not Available
- UNII
- E15REE98CW
- CAS Number
- 2508-76-1
- Weight
- Average: 492.676
Monoisotopic: 492.32155421 - Chemical Formula
- C30H45NaO4
- InChI Key
- MOCOXAJEZKHXSF-IHMBCTQLSA-M
- InChI
- InChI=1S/C30H46O4.Na/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);/q;+1/p-1/t19-,21-,22-,23+,26+,27-,28-,29+,30+;/m0./s1
- IUPAC Name
- sodium (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
- SMILES
- [Na+].CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C([O-])=O
- External Links
- ChemSpider
- 32699439
- Predicted Properties
Property Value Source Water Solubility 0.00109 mg/mL ALOGPS logP 5.14 ALOGPS logP 6.03 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 4.44 Chemaxon pKa (Strongest Basic) -0.84 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 1 Chemaxon Refractivity 145.11 m3·mol-1 Chemaxon Polarizability 54.73 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon