EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID70890899

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID70890899


InChI Key	NZDRPSIPAWASJJ-UHFFFAOYSA-M
Smiles	[OH-].[O--].[O--].[O--].[O--].[O--].[O--].[Mg++].[Mg++].[Al+3].[Al+3].[Ba++].[Ba++]
InChI	InChI=1S/2Al.2Ba.2Mg.H2O.6O/h;;;;;;1H2;;;;;;/q2+3;4+2;;6*-2/p-1

InChI Key

NZDRPSIPAWASJJ-UHFFFAOYSA-M

Smiles

[OH-].[O--].[O--].[O--].[O--].[O--].[O--].[Mg++].[Mg++].[Al+3].[Al+3].[Ba++].[Ba++]

InChI

InChI=1S/2Al.2Ba.2Mg.H2O.6O/h;;;;;;1H2;;;;;;/q2*+3;4*+2;;6*-2/p-1

Property Name	Value
Molecular Formula	Al2Ba2HMg2O7
Molecular Weight	490.72
AlogP	-3.17
Hydrogen Bond Acceptor	1.0
Polar Surface Area	201.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

Al2Ba2HMg2O7

Molecular Weight

490.72

AlogP

-3.17

Hydrogen Bond Acceptor

1.0

Polar Surface Area

201.0

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	63774-55-0
NORMAN SUSDAT
PubChem	138394941

Resources

Reference

CAS NUMBER

63774-55-0

NORMAN SUSDAT

PubChem

138394941

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...

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Last update: Monday, 3 November 2025

ALUMINUM BARIUM MAGNESIUM OXIDE

Structure

Physicochemical Descriptors

Cross References