Hydrocortisone succinate monohydrateProduct ingredient for Hydrocortisone succinate
- Name
- Hydrocortisone succinate monohydrate
- Drug Entry
- Hydrocortisone succinate
- Accession Number
- DBSALT002780
- Structure
Structure for Hydrocortisone succinate monohydrate (DBSALT002780)
- Synonyms
- Cortisol 21-(hydrogen succinate) monohydrate / Hydrocortisone hemisuccinate / Hydrocortisone hydrogen succinate
- UNII
- LIU00Z1Z84
- CAS Number
- 83784-20-7
- Weight
- Average: 480.554
Monoisotopic: 480.235932739 - Chemical Formula
- C25H36O9
- InChI Key
- AFLWPAGYTPJSEY-CODXZCKSSA-N
- InChI
- InChI=1S/C25H34O8.H2O/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30);1H2/t16-,17-,18-,22+,23-,24-,25-;/m0./s1
- IUPAC Name
- 4-{2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-4-oxobutanoic acid hydrate
- SMILES
- O.[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
- External Links
- ChemSpider
- 189934
- ChEMBL
- CHEMBL3989663
- Predicted Properties
Property Value Source Water Solubility 0.0653 mg/mL ALOGPS logP 2.17 ALOGPS logP 1.54 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 3.66 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 138.2 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 117.44 m3·mol-1 Chemaxon Polarizability 49.14 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon