EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RY2M75YVN5
EPA CompTox	DTXSID5070286

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RY2M75YVN5

EPA CompTox

DTXSID5070286


InChI Key	FNLWDOVWRPOCBS-UHFFFAOYSA-N
Smiles	Nc1c(Br)cc(O)c2c1C(=O)c1c(c(O)cc(Br)c1N)C2=O
InChI	InChI=1S/C14H8Br2N2O4/c15-3-1-5(19)7-9(11(3)17)14(22)10-8(13(7)21)6(20)2-4(16)12(10)18/h1-2,19-20H,17-18H2

InChI Key

FNLWDOVWRPOCBS-UHFFFAOYSA-N

Smiles

Nc1c(Br)cc(O)c2c1C(=O)c1c(c(O)cc(Br)c1N)C2=O

InChI

InChI=1S/C14H8Br2N2O4/c15-3-1-5(19)7-9(11(3)17)14(22)10-8(13(7)21)6(20)2-4(16)12(10)18/h1-2,19-20H,17-18H2

Property Name	Value
Molecular Formula	C14H8Br2N2O4
Molecular Weight	425.89
AlogP	2.56
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Polar Surface Area	126.64
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C14H8Br2N2O4

Molecular Weight

425.89

AlogP

2.56

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Polar Surface Area

126.64

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	65235-64-5
NORMAN SUSDAT
FDA SRS	RY2M75YVN5
PubChem	103336
ChemSpider	93310.0

Resources

Reference

CAS NUMBER

65235-64-5

NORMAN SUSDAT

FDA SRS

RY2M75YVN5

PubChem

103336

ChemSpider

93310.0

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, 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

9,10-ANTHRACENEDIONE, 1,8-DIAMINO-2,7-DIBROMO-4,5-DIHYDROXY-

Structure

Physicochemical Descriptors

Cross References