METHYLPREDNISOLONE HEMISUCCINATE

Search structure
Synonyms:
Status: Approved (1959)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 5GMR90S4KN
Parent Compound: METHYLPREDNISOLONE

Structure
InChI Key IMBXEJJVJRTNOW-XYMSELFBSA-N
Smile C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
InChI
InChI=1S/C26H34O8/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)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H34O8
Molecular Weight 474.55
AlogP 2.22
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 138.2
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis 1 D009103 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
CAS NUMBER 2921-57-5
ChEBI 135765
ChEMBL CHEMBL1201265
DrugBank DB14644
DrugCentral 1771
EPA CompTox DTXSID80183466
FDA SRS 5GMR90S4KN
PubChem 16923
SureChEMBL SCHEMBL7915
ZINC ZINC000003977781
CONTENTS