EcoDrugPlus


Synonyms	Magnerot classic Magnesium orotate Orotate magnesium Orotic acid, magnesium salt
Status
Molecule Category	Salt-form
ATC	A12CC09
UNII	GI96W46M5A

Synonyms

Magnerot classic

Magnesium orotate

Orotate magnesium

Orotic acid, magnesium salt

Status

Molecule Category

Salt-form

ATC

A12CC09

UNII

GI96W46M5A


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	QWLHYYKDLOVBNV-UHFFFAOYSA-L
Smiles	O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Mg+2]
InChI	InChI=1S/2C5H4N2O4.Mg/c28-3-1-2(4(9)10)6-5(11)7-3;/h21H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2

InChI Key

QWLHYYKDLOVBNV-UHFFFAOYSA-L

Smiles

O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Mg+2]

InChI

InChI=1S/2C5H4N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2

Property Name	Value
Molecular Formula	C10H6MgN4O8
Molecular Weight	334.48
AlogP	None
Hydrogen Bond Acceptor	None
Hydrogen Bond Donor	None
Number of Rotational Bond	None
Polar Surface Area	None
Molecular species	None
Aromatic Rings	None
Heavy Atoms	None

Property Name

Value

Molecular Formula

C10H6MgN4O8

Molecular Weight

334.48

AlogP

None

Hydrogen Bond Acceptor

None

Hydrogen Bond Donor

None

Number of Rotational Bond

None

Polar Surface Area

None

Molecular species

None

Aromatic Rings

None

Heavy Atoms

None

Resources	Reference
ChEMBL	CHEMBL3707282
DrugBank	DB13786
FDA SRS	GI96W46M5A
PubChem	3036905
SureChEMBL	SCHEMBL159382

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

MAGNESIUM OROTATE

Structure

Physicochemical Descriptors

Cross References