EDETATE CALCIUM DISODIUM


Trade Names	CALCIUM DISODIUM VERSENATE
Synonyms	Adsorbonac Antallin Calcium Disodium Edetate Calcium Disodium Edta Calcium Disodium Versenate Calcium Edetate Sodium Calcium Edta Calcium disodium edetate Calcium disodium edta dihydrate Calcium disodium versenate Calcium sodium edetate hydrate Calcium tetracemine disodium Calcium titriplex Calciumedetate sodium Detoxamin Disodium calcium edta E-385 E385 Edathamil Edetamine Edetate calcium disodium Edta Calcium Disodium Edta calcium Edta calcium disodium salt Edthamil INS NO.385 INS-385 Ledclair Mosatil NSC-310151 Natrii calcii edetas Sodium Calcium Edetate Sodium Calciumedetate Sodium calcium edetate Sodium calciumedetate Sormetal Tetazine Versene Ca
Status
Molecule Category	Salt-form
UNII	PKV6BFV915


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

Structure


InChI Key	SHWNNYZBHZIQQV-UHFFFAOYSA-J
Smiles	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]
InChI	InChI=1S/C10H16N2O8.Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H14CaN2Na2O9
Molecular Weight	392.29
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

Cross References

Resources	Reference
ChEMBL	CHEMBL3989522
FDA SRS	PKV6BFV915
PubChem	46245300
SureChEMBL	SCHEMBL17747958
ChEBI	4757
ChEMBL	CHEMBL1200375
DrugBank	DB14598
FDA SRS	8U5D034955
PubChem	46245300
SureChEMBL	SCHEMBL41639

CONTENTS


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).