API0231652

Edetate calcium disodium

Edaravone is used for amyotrophic lateral sclerosis (ALS) and is an orphan drug.

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CAS No.

62-33-9
Synonyms

62-33-9; Edetate calcium disodium; Ethylenediaminetetraacetic acid calcium disodium salt
CHEMBL ID

CHEMBL1200375
Molecule Type

Small molecule
Compound CID

6093170

Molecular Weight (g/mol)

374.27
Molecular Formula

C10H12CaN2Na2O8
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
InChIKey

SHWNNYZBHZIQQV-UHFFFAOYSA-J
SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2]
IUPAC Name

calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
Exact Mass (Da)

374.0014948
Monoisotopic Mass (Da)

374.0014948

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