EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID8058324

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID8058324


InChI Key	FYZXEMANQYHCFX-UHFFFAOYSA-K
Smiles	[K+].[K+].[K+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
InChI	InChI=1S/C10H16N2O8.3K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3

InChI Key

FYZXEMANQYHCFX-UHFFFAOYSA-K

Smiles

[K+].[K+].[K+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O

InChI

InChI=1S/C10H16N2O8.3K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3

Property Name	Value
Molecular Formula	C10H13K3N2O8
Molecular Weight	405.96
AlogP	-15.06
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	11.0
Polar Surface Area	164.17
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C10H13K3N2O8

Molecular Weight

405.96

AlogP

-15.06

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

11.0

Polar Surface Area

164.17

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	17572-97-3
NORMAN SUSDAT
PubChem	62717
ChemSpider	56461.0

Resources

Reference

CAS NUMBER

17572-97-3

NORMAN SUSDAT

PubChem

62717

ChemSpider

56461.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

EDTA, TRIPOTASSIUM SALT

Structure

Physicochemical Descriptors

Cross References