EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Salt-form
UNII	OKD8A9SB2H
EPA CompTox	DTXSID40220962

Keyword(s):

Human Neurotoxin

Molecule Category

Salt-form

UNII

OKD8A9SB2H

EPA CompTox

DTXSID40220962


InChI Key	LBYCWLBCHNSWFE-UHFFFAOYSA-L
Smiles	[Mg++].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1
InChI	InChI=1S/2C6H5NO2.Mg/c28-6(9)5-2-1-3-7-4-5;/h21-4H,(H,8,9);/q;;+2/p-2

InChI Key

LBYCWLBCHNSWFE-UHFFFAOYSA-L

Smiles

[Mg++].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1

InChI

InChI=1S/2C6H5NO2.Mg/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2

Property Name	Value
Molecular Formula	C12H8MgN2O4
Molecular Weight	268.03
AlogP	-1.49
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	2.0
Polar Surface Area	106.04
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C12H8MgN2O4

Molecular Weight

268.03

AlogP

-1.49

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

2.0

Polar Surface Area

106.04

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	7069-06-9
NORMAN SUSDAT
FDA SRS	OKD8A9SB2H

Resources

Reference

CAS NUMBER

7069-06-9

NORMAN SUSDAT

FDA SRS

OKD8A9SB2H

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

MAGNESIUM NICOTINATE

Structure

Physicochemical Descriptors

Cross References