EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	8223RR9DWF
EPA CompTox	DTXSID8023503

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

8223RR9DWF

EPA CompTox

DTXSID8023503


InChI Key	FKKAEMQFOIDZNY-CODXZCKSSA-M
Smiles	[Na+].CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)[O-]
InChI	InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18+,22-,23+,24+,25+/m1/s1

InChI Key

FKKAEMQFOIDZNY-CODXZCKSSA-M

Smiles

[Na+].CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)[O-]

InChI

InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18+,22-,23+,24+,25+/m1/s1

Property Name	Value
Molecular Formula	C25H32O8
Molecular Weight	460.21
AlogP	1.97
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	138.2
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C25H32O8

Molecular Weight

460.21

AlogP

1.97

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

138.2

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	1715-33-9
NORMAN SUSDAT
FDA SRS	8223RR9DWF
PubChem	23680518
ChemSpider	391985.0

Resources

Reference

CAS NUMBER

1715-33-9

NORMAN SUSDAT

FDA SRS

8223RR9DWF

PubChem

23680518

ChemSpider

391985.0

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

PREDNISOLONE SODIUM SUCCINATE

Structure

Physicochemical Descriptors

Cross References