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EDTA disodium salt

CAT: 0127-OR964961-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR964961-01Size:25 g
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CAS Number
139-33-3
MDL Number
MFCD00070672
Purity
98%
Smiles
[Na+].[Na+].OC(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)O

Chemical Information

Ethylenediaminetetraacetic acid disodium salt

Edetate disodium anhydrous is a polyvalent chelating agent used to treat hypercalcemia and digitalis toxicity associated ventricular arrhythmias.

CAS Number139-33-3
PubChem CID8759
IUPAC Namedisodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
Molecular FormulaC10H14N2Na2O8
Molecular Weight336.21
Topological Polar Surface Area161
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity336
SMILES
C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C10H16N2O8.2Na/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*+1/p-2
InChIKey
ZGTMUACCHSMWAC-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Ethylenediaminetetraacetic acid disodium salt
CAS: 139-33-3
CID: 8759
Formula: C10H14N2Na2O8
MW: 336.21
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight336.21
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass336.05455397
Monoisotopic Mass336.05455397
Topological Polar Surface Area161 Ų
Heavy Atom Count22
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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