Enoxolone aluminumProduct ingredient for Enoxolone
- Name
- Enoxolone aluminum
- Drug Entry
- Enoxolone
Enoxolone (glycyrrhetic acid) has been investigated for the basic science of Apparent Mineralocorticoid Excess (AME).
- Accession Number
- DBSALT002291
- Structure
Structure for Enoxolone aluminum (DBSALT002291)
- Synonyms
- Not Available
- UNII
- E3P03E2A65
- CAS Number
- 4598-66-7
- Weight
- Average: 1436.04
Monoisotopic: 1434.9768933 - Chemical Formula
- C90H135AlO12
- InChI Key
- JIQUHOXNCWKESF-UBYPFOLZSA-K
- InChI
- InChI=1S/3C30H46O4.Al/c3*1-25(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;/h3*16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);/q;;;+3/p-3/t3*19-,21-,22-,23+,26+,27-,28-,29+,30+;/m000./s1
- IUPAC Name
- aluminium(3+) tris((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
- [Al+3].[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O.[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O.[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O
- External Links
- ChemSpider
- 34990155
- Predicted Properties
Property Value Source Water Solubility 8.08e-05 mg/mL ALOGPS logP 8.42 ALOGPS logP 6.03 Chemaxon logS -7.2 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 3 Chemaxon Refractivity 145.11 m3·mol-1 Chemaxon Polarizability 54.65 Å3 Chemaxon Number of Rings 15 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon