Structure

InChI Key JQAACYUZYRBHGG-QHTZZOMLSA-L
Smile O=C([O-])[C@@H]1CCC(O)=N1.O=C([O-])[C@@H]1CCC(O)=N1.[Mg+2]
InChI
InChI=1S/2C5H7NO3.Mg/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12MgN2O6
Molecular Weight 280.52
AlogP -0.65
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 66.4
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 9.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hemoglobin SC Disease 2 D006450 ClinicalTrials
Anemia, Sickle Cell 1 D000755 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3707303
FDA SRS V5PC588N7G
PubChem 14559042
SureChEMBL SCHEMBL7928170