PENTETATE ZINC TRISODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII NXU65IC8PG
EPA CompTox DTXSID80154954

Structure

InChI Key HVASDHJNLYRZEA-UHFFFAOYSA-I
Smiles O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2]
InChI
InChI=1S/C14H23N3O10.3Na.Zn/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;3*+1;+2/p-5

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H18N3Na3O10Zn
Molecular Weight 522.67
AlogP -2.68
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 16.0
Polar Surface Area 196.22
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Radioactive metals chelating agent CHELATING AGENT DailyMed

Cross References

Resources Reference
ChEMBL CHEMBL1200424
FDA SRS NXU65IC8PG
PubChem 164209
SureChEMBL SCHEMBL570988
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