Methylprednisolone acetateProduct ingredient for Methylprednisolone
- Name
- Methylprednisolone acetate
- Drug Entry
- Methylprednisolone
Methylprednisolone is a prednisolone derivative glucocorticoid with higher potency than prednisone.9 It was first described in the literature in the late 1950s.9,10
Methylprednisolone was granted FDA approval on 24 October 1957.12 In the outbreak of COVID-19, low dose methylprednisolone-based therapy was successful in treating COVID-19-associated pneumonia in one patient with long-term immunosuppression.11 The efficacy of methylprednisolone in novel coronavirus pneumonia is being investigated further in clinical trials.15
- Accession Number
- DBSALT001157
- Structure
Structure for Methylprednisolone acetate (DBSALT001157)
- Synonyms
- Not Available
- UNII
- 43502P7F0P
- CAS Number
- 53-36-1
- Weight
- Average: 416.514
Monoisotopic: 416.21988875 - Chemical Formula
- C24H32O6
- InChI Key
- PLBHSZGDDKCEHR-LFYFAGGJSA-N
- InChI
- InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1
- IUPAC Name
- 2-[(1S,2R,8S,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,8,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate
- SMILES
- [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])C[C@]([H])(C)C2=CC(=O)C=C[C@]12C
- External Links
- KEGG Compound
- C08179
- ChemSpider
- 5666
- BindingDB
- 233194
- ChEBI
- 6889
- ChEMBL
- CHEMBL1364144
- ZINC
- ZINC000118912449
- Wikipedia
- Methylprednisolone_acetate
- Predicted Properties
Property Value Source Water Solubility 0.0193 mg/mL ALOGPS logP 2.58 ALOGPS logP 2 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 12.61 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 100.9 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 112.19 m3·mol-1 Chemaxon Polarizability 45.14 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