EcoDrugPlus


Synonyms	Azoksodon Azoxodon Azoxodone Centramin Cylert Dantromin Deltamin Deltamine Fenoxazol Hyton Hyton asa Kethamed LA-956 NSC-169499 NSC-25159
Status
Molecule Category	Free-form
ATC	N06BA05
UNII	7GAQ2332NK
EPA CompTox	DTXSID3023427

Synonyms

Azoksodon

Azoxodon

Azoxodone

Centramin

Cylert

Dantromin

Deltamin

Deltamine

Fenoxazol

Hyton

Hyton asa

Kethamed

LA-956

NSC-169499

NSC-25159

Status

Molecule Category

Free-form

ATC

N06BA05

UNII

7GAQ2332NK

EPA CompTox

DTXSID3023427


InChI Key	NRNCYVBFPDDJNE-UHFFFAOYSA-N
Smiles	NC1=NC(=O)C(c2ccccc2)O1
InChI	InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)

InChI Key

NRNCYVBFPDDJNE-UHFFFAOYSA-N

Smiles

NC1=NC(=O)C(c2ccccc2)O1

InChI

InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)

Property Name	Value
Molecular Formula	C9H8N2O2
Molecular Weight	176.18
AlogP	0.6
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	64.68
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H8N2O2

Molecular Weight

176.18

AlogP

0.6

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

64.68

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

13.0

Resources	Reference
ChEBI	7953
ChEMBL	CHEMBL1177
DrugBank	DB01230
DrugCentral	2075
FDA SRS	7GAQ2332NK
KEGG	C07899
PharmGKB	PA450836
SureChEMBL	SCHEMBL41636

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

KEGG

PharmGKB

SureChEMBL

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

PEMOLINE

Structure

Physicochemical Descriptors

Cross References