EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID5065807

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID5065807


InChI Key	HALPFWFCTAYLEL-UHFFFAOYSA-J
Smiles	[K+].[K+].[Zn++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
InChI	InChI=1S/C10H16N2O8.2K.Zn/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;2*+1;+2/p-4

InChI Key

HALPFWFCTAYLEL-UHFFFAOYSA-J

Smiles

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

InChI

InChI=1S/C10H16N2O8.2K.Zn/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;2*+1;+2/p-4

Property Name	Value
Molecular Formula	C10H12K2N2O8Zn
Molecular Weight	429.92
AlogP	-13.4
Hydrogen Bond Acceptor	10.0
Number of Rotational Bond	11.0
Polar Surface Area	167.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C10H12K2N2O8Zn

Molecular Weight

429.92

AlogP

-13.4

Hydrogen Bond Acceptor

10.0

Number of Rotational Bond

11.0

Polar Surface Area

167.0

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	14689-29-3
NORMAN SUSDAT
PubChem	84595

Resources

Reference

CAS NUMBER

14689-29-3

NORMAN SUSDAT

PubChem

84595

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

ZINCATE(2-), [[N,N'-1,2-ETHANEDIYLBIS[N-(CARBOXYMETHYL)GLYCINATO]](4-)-N,N',O,O',ON,ON']-, DIPOTASSIUM SALT

Structure

Physicochemical Descriptors

Cross References