Magnesium orotate

C10H6MgN4O8CAS 34717-03-8334.48 g/mol

Open in Covalent MOL file
OHOOHNOHNOO−O−NOHNMg2+
Carboxylic acidPhenol

Properties

Molecular formula
C10H6MgN4O8
Molar mass
334.48 g/mol
Exact mass
334.0036 Da
logP
-3.18Crippen estimate
Polar surface area
212.7 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 4 ECHA notifiers. Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
34717-03-8
SMILES
O=C(O)c1cc(O)nc(O)n1.O=C([O-])c1cc([O-])nc(O)n1.[Mg+2]
InChIKey
QWLHYYKDLOVBNV-UHFFFAOYSA-L
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Magnesium, bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-κN3,κO4)-, (T-4)-
  • Magnesium, bis(orotato)-
  • Magnesium, bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-N3,O4)-, (T-4)-
  • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, magnesium complex
  • (T-4)-Bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-κN3,κO4)magnesium
  • Magnerot

Work with Magnesium orotate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Orotic acid monohydrate50887-69-9Hydrate Orotic acid65-86-1Free acid Orazamide2574-78-9Salt Potassium orotate24598-73-0Salt L-Carnitine orotate160468-17-7Salt Lithium orotate5266-20-6Salt 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, zinc salt (2:1)68399-76-8Salt

Similar compounds

Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate6153-44-238 % similar 6-Hydroxypyrimidine-4-carboxylic acid6299-87-237 % similar Citrazinic acid99-11-636 % similar 6-Hydroxypicolinic acid19621-92-234 % similar (T-4)-Bis[2-(hydroxy-κO)benzoato-κO]magnesium18917-89-034 % similar Xanthurenic acid59-00-733 % similar 4-Bromo-2,6-pyridinedicarboxylic Acid162102-81-033 % similar 4-Chloro-2,6-pyridinedicarboxylic Acid4722-94-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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