EcoDrugPlus


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

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form


InChI Key	DYGZSZMGQKXDRZ-UHFFFAOYSA-N
Smiles	C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Mn]
InChI	InChI=1S/C14H23N3O10.Mn.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;;3*+1

InChI Key

DYGZSZMGQKXDRZ-UHFFFAOYSA-N

Smiles

C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Mn]

InChI

InChI=1S/C14H23N3O10.Mn.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;;3*+1

Property Name	Value
Molecular Formula	C14H23MnN3Na3O10+3
Molecular Weight	517.04
AlogP	-11.68
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	16.0
Polar Surface Area	196.22
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C14H23MnN3Na3O10+3

Molecular Weight

517.04

AlogP

-11.68

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

16.0

Polar Surface Area

196.22

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	11065-74-0
NORMAN SUSDAT
PubChem	72201068

Resources

Reference

CAS NUMBER

11065-74-0

NORMAN SUSDAT

PubChem

72201068

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

MANGANATE(3-), [N,N-BIS[2-[BIS(CARBOXYMETHYL)AMINO]ETHYL]GLYCINATO-(5-)]-, TRISODIUM

Structure

Physicochemical Descriptors

Cross References