EcoDrugPlus


Synonyms	Methylprednisolone hemisuccinate Methylprednisolone succinate
Status
Molecule Category	Free-form
UNII	5GMR90S4KN
EPA CompTox	DTXSID80183466
Parent Compound:	METHYLPREDNISOLONE

Synonyms

Methylprednisolone hemisuccinate

Methylprednisolone succinate

Status

Molecule Category

Free-form

UNII

5GMR90S4KN

EPA CompTox

DTXSID80183466

Parent Compound:

METHYLPREDNISOLONE


InChI Key	IMBXEJJVJRTNOW-XYMSELFBSA-N
Smiles	C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)O)[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

InChI Key

IMBXEJJVJRTNOW-XYMSELFBSA-N

Smiles

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)O)[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

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

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

Resources	Reference
ChEBI	135765
ChEMBL	CHEMBL1201265
DrugBank	DB14644
DrugCentral	1771
FDA SRS	5GMR90S4KN
PubChem	16923
SureChEMBL	SCHEMBL7915
ZINC	ZINC000003977781

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

METHYLPREDNISOLONE HEMISUCCINATE

Structure

Physicochemical Descriptors

Cross References