EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WDF356M7ZU
EPA CompTox	DTXSID40239670

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WDF356M7ZU

EPA CompTox

DTXSID40239670


InChI Key	GFKFOCUCHMUWIH-UHFFFAOYSA-N
Smiles	COCCOCCOCCOc1c(N)cc(N)cc1
InChI	InChI=1S/C13H22N2O4/c1-16-4-5-17-6-7-18-8-9-19-13-3-2-11(14)10-12(13)15/h2-3,10H,4-9,14-15H2,1H3

InChI Key

GFKFOCUCHMUWIH-UHFFFAOYSA-N

Smiles

COCCOCCOCCOc1c(N)cc(N)cc1

InChI

InChI=1S/C13H22N2O4/c1-16-4-5-17-6-7-18-8-9-19-13-3-2-11(14)10-12(13)15/h2-3,10H,4-9,14-15H2,1H3

Property Name	Value
Molecular Formula	C13H22N2O4
Molecular Weight	270.16
AlogP	0.91
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	88.96
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C13H22N2O4

Molecular Weight

270.16

AlogP

0.91

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

88.96

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	93803-65-7
NORMAN SUSDAT
FDA SRS	WDF356M7ZU
PubChem	3022406
ChemSpider	2288913.0

Resources

Reference

CAS NUMBER

93803-65-7

NORMAN SUSDAT

FDA SRS

WDF356M7ZU

PubChem

3022406

ChemSpider

2288913.0

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

4-(2-(2-(2-METHOXYETHOXY)ETHOXY)ETHOXY)BENZENE-1,3-DIAMINE

Structure

Physicochemical Descriptors

Cross References