Methylprednisolone sodium succinateProduct ingredient for Methylprednisolone hemisuccinate

Name
Methylprednisolone sodium succinate
Drug Entry
Methylprednisolone hemisuccinate

A water-soluble ester of methylprednisolone used for cardiac, allergic, and hypoxic emergencies.

Accession Number
DBSALT001158
Structure
Thumb
Synonyms
Methylprednisolone 21-succinate sodium salt
UNII
LEC9GKY20K
CAS Number
2375-03-3
Weight
Average: 496.532
Monoisotopic: 496.2073123
Chemical Formula
C26H33NaO8
InChI Key
FQISKWAFAHGMGT-SGJOWKDISA-M
InChI
InChI=1S/C26H34O8.Na/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24;/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31);/q;+1/p-1/t14-,16-,17-,19-,23+,24-,25-,26-;/m0./s1
IUPAC Name
sodium 4-{2-[(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-4-oxobutanoate
SMILES
[Na+].[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])C[C@H](C)C2=CC(=O)C=C[C@]12C
ChemSpider
16033
ChEBI
6890
ChEMBL
CHEMBL1201081
Wikipedia
Methylprednisolone_succinate
Predicted Properties
PropertyValueSource
Water Solubility0.024 mg/mLALOGPS
logP2.53ALOGPS
logP1.83ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)3.66ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area141.03 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity133.92 m3·mol-1ChemAxon
Polarizability49.39 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon