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
Thumb
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
KEGG Compound
C08179
ChemSpider
5666
BindingDB
233194
ChEBI
6889
ChEMBL
CHEMBL1364144
ZINC
ZINC000118912449
Wikipedia
Methylprednisolone_acetate
Predicted Properties
PropertyValueSource
Water Solubility0.0193 mg/mLALOGPS
logP2.58ALOGPS
logP2ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)12.61ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area100.9 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity112.19 m3·mol-1ChemAxon
Polarizability45.14 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon