EcoDrugPlus


Synonyms	BNP-166 Etiprednol dicloacetate
Status
Molecule Category	Free-form
UNII	332VLD554F

Synonyms

BNP-166

Etiprednol dicloacetate

Status

Molecule Category

Free-form

UNII

332VLD554F


InChI Key	QAIOVDNCIZSSSF-RFAJLIJZSA-N
Smiles	CCOC(=O)[C@@]1(OC(=O)C(Cl)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI	InChI=1S/C24H30Cl2O6/c1-4-31-21(30)24(32-20(29)19(25)26)10-8-16-15-6-5-13-11-14(27)7-9-22(13,2)18(15)17(28)12-23(16,24)3/h7,9,11,15-19,28H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,18+,22-,23-,24-/m0/s1

InChI Key

QAIOVDNCIZSSSF-RFAJLIJZSA-N

Smiles

CCOC(=O)[C@@]1(OC(=O)C(Cl)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

InChI

InChI=1S/C24H30Cl2O6/c1-4-31-21(30)24(32-20(29)19(25)26)10-8-16-15-6-5-13-11-14(27)7-9-22(13,2)18(15)17(28)12-23(16,24)3/h7,9,11,15-19,28H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,18+,22-,23-,24-/m0/s1

Property Name	Value
Molecular Formula	C24H30Cl2O6
Molecular Weight	485.4
AlogP	3.91
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	89.9
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C24H30Cl2O6

Molecular Weight

485.4

AlogP

3.91

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

89.9

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

32.0

Resources	Reference
ChEBI	135783
ChEMBL	CHEMBL2107614
DrugBank	DB05442
DrugCentral	3209
FDA SRS	332VLD554F
PubChem	9935073
SureChEMBL	SCHEMBL4097770
ZINC	ZINC000003979944

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

ETIPREDNOL DICLOACETATE

Structure

Physicochemical Descriptors

Cross References