EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	4TTL387KW9
EPA CompTox	DTXSID3036442

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

4TTL387KW9

EPA CompTox

DTXSID3036442


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

InChI Key

JZBRFIUYUGTUGG-UHFFFAOYSA-J

Smiles

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

InChI

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

Property Name	Value
Molecular Formula	C10H12K4N2O8
Molecular Weight	443.91
AlogP	-19.39
Hydrogen Bond Acceptor	10.0
Number of Rotational Bond	11.0
Polar Surface Area	167.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C10H12K4N2O8

Molecular Weight

443.91

AlogP

-19.39

Hydrogen Bond Acceptor

10.0

Number of Rotational Bond

11.0

Polar Surface Area

167.0

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	5964-35-2
NORMAN SUSDAT
FDA SRS	4TTL387KW9

Resources

Reference

CAS NUMBER

5964-35-2

NORMAN SUSDAT

FDA SRS

4TTL387KW9

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

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