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
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Synonyms
62-33-9; Edetate calcium disodium; Ethylenediaminetetraacetic acid calcium disodium salt
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CHEMBL ID
CHEMBL1200375
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Indications
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Molecule Type
Small molecule
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Compound CID
6093170
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Molecular Weight (g/mol)
374.27
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Molecular Formula
C10H12CaN2Na2O8
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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
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InChIKey
SHWNNYZBHZIQQV-UHFFFAOYSA-J
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SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2]
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IUPAC Name
calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
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Exact Mass (Da)
374.0014948
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Monoisotopic Mass (Da)
374.0014948
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