EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90238794

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90238794


InChI Key	PRSYGUNNFMZZES-UHFFFAOYSA-N
Smiles	NNC(=O)CCN(CCN(CCC(=O)NN)CCC(=O)NN)CCC(=O)NN
InChI	InChI=1S/C14H32N10O4/c15-19-11(25)1-5-23(6-2-12(26)20-16)9-10-24(7-3-13(27)21-17)8-4-14(28)22-18/h1-10,15-18H2,(H,19,25)(H,20,26)(H,21,27)(H,22,28)

InChI Key

PRSYGUNNFMZZES-UHFFFAOYSA-N

Smiles

NNC(=O)CCN(CCN(CCC(=O)NN)CCC(=O)NN)CCC(=O)NN

InChI

InChI=1S/C14H32N10O4/c15-19-11(25)1-5-23(6-2-12(26)20-16)9-10-24(7-3-13(27)21-17)8-4-14(28)22-18/h1-10,15-18H2,(H,19,25)(H,20,26)(H,21,27)(H,22,28)

Property Name	Value
Molecular Formula	C14H32N10O4
Molecular Weight	404.26
AlogP	-1.53
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	8.0
Number of Rotational Bond	15.0
Polar Surface Area	240.92
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C14H32N10O4

Molecular Weight

404.26

AlogP

-1.53

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

8.0

Number of Rotational Bond

15.0

Polar Surface Area

240.92

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	91933-32-3
NORMAN SUSDAT
PubChem	3045312
ChemSpider	2308074.0

Resources

Reference

CAS NUMBER

91933-32-3

NORMAN SUSDAT

PubChem

3045312

ChemSpider

2308074.0

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

N,N,N',N'-TETRAKIS(3-HYDRAZINO-3-OXOPROPYL)ETHYLENEDIAMINE

Structure

Physicochemical Descriptors

Cross References