EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z243A6BHCS
EPA CompTox	DTXSID601043077

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z243A6BHCS

EPA CompTox

DTXSID601043077


InChI Key	RACDDTQBAFEERP-PLTZVPCUSA-N
Smiles	O=C1C=CC2(C(=C1)C(Cl)CC3C2C(=O)CC4(C)C3CCC4(O)C(=O)COC(=O)C)C
InChI	InChI=1/C23H27ClO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h4,6,8,14-15,17,20,29H,5,7,9-11H2,1-3H3

InChI Key

RACDDTQBAFEERP-PLTZVPCUSA-N

Smiles

O=C1C=CC2(C(=C1)C(Cl)CC3C2C(=O)CC4(C)C3CCC4(O)C(=O)COC(=O)C)C

InChI

InChI=1/C23H27ClO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h4,6,8,14-15,17,20,29H,5,7,9-11H2,1-3H3

Property Name	Value
Molecular Formula	C23H27ClO6
Molecular Weight	434.15
AlogP	2.55
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	97.74
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C23H27ClO6

Molecular Weight

434.15

AlogP

2.55

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

97.74

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	14066-79-6
NORMAN SUSDAT
FDA SRS	Z243A6BHCS
PubChem	235970

Resources

Reference

CAS NUMBER

14066-79-6

NORMAN SUSDAT

FDA SRS

Z243A6BHCS

PubChem

235970

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

CHLOROPREDNISONE 21-ACETATE

Structure

Physicochemical Descriptors

Cross References